benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene

C190H185N11O8S3 — CID 163442536

IUPACbenzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene
SMILESC=C1NC(Cc2ccccc2)=CO1.O=C1NCCC1Cc1ccccc1.O=c1[nH]cccc1Cc1ccccc1.O=c1occcc1Cc1ccccc1.c1ccc(CC2CCCCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccn2)cc1.c1ccc(Cc2ccncc2)cc1.c1ccc(Cc2ccoc2)cc1.c1ccc(Cc2ccsc2)cc1.c1ccc(Cc2cnccn2)cc1.c1ccc(Cc2coc3ccccc23)cc1.c1ccc(Cc2cocn2)cc1.c1ccc(Cc2csc3ccccc23)cc1.c1ccc(Cc2cscn2)cc1
InChIInChI=1S/C15H12O.C15H12S.C13H18.C13H12.C12H11NO.2C12H11N.C12H10O2.C11H16N2.C11H10N2.C11H11NO.C11H13NO.C11H10O.C11H10S.C10H9NO.C10H9NS/c2*1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;14-12-11(7-4-8-13-12)9-10-5-2-1-3-6-10;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;13-12-11(7-4-8-14-12)9-10-5-2-1-3-6-10;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;1-9-12-11(8-13-9)7-10-5-3-2-4-6-10;13-11-10(6-7-12-11)8-9-4-2-1-3-5-9;2*1-2-4-10(5-3-1)8-11-6-7-12-9-11;2*1-2-4-9(5-3-1)6-10-7-12-8-11-10/h2*1-9,11H,10H2;1,3-4,7-8,13H,2,5-6,9-11H2;1-10H,11H2;1-8H,9H2,(H,13,14);2*1-9H,10H2;1-8H,9H2;1-5,12H,6-10H2;1-7,9H,8H2;2-6,8,12H,1,7H2;1-5,10H,6-8H2,(H,12,13);2*1-7,9H,8H2;2*1-5,7-8H,6H2
InChIKeyAZSVEYXORQTNQC-UHFFFAOYSA-N
MW2846.84 g/mol
LogP43.04
Rot. Bonds32

About benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene

benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene (PubChem CID 163442536) has the molecular formula C190H185N11O8S3 and a molecular weight of 2846.84 g/mol. Its IUPAC name is benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene.

Molecular Properties

Compound Namebenzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene
PubChem CID163442536
Molecular FormulaC190H185N11O8S3
Molecular Weight2846.84 g/mol
Exact Mass2844.36
IUPAC Namebenzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene
SMILESC=C1NC(Cc2ccccc2)=CO1.O=C1NCCC1Cc1ccccc1.O=c1[nH]cccc1Cc1ccccc1.O=c1occcc1Cc1ccccc1.c1ccc(CC2CCCCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccn2)cc1.c1ccc(Cc2ccncc2)cc1.c1ccc(Cc2ccoc2)cc1.c1ccc(Cc2ccsc2)cc1.c1ccc(Cc2cnccn2)cc1.c1ccc(Cc2coc3ccccc23)cc1.c1ccc(Cc2cocn2)cc1.c1ccc(Cc2csc3ccccc23)cc1.c1ccc(Cc2cscn2)cc1
InChIInChI=1S/C15H12O.C15H12S.C13H18.C13H12.C12H11NO.2C12H11N.C12H10O2.C11H16N2.C11H10N2.C11H11NO.C11H13NO.C11H10O.C11H10S.C10H9NO.C10H9NS/c2*1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;14-12-11(7-4-8-13-12)9-10-5-2-1-3-6-10;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;13-12-11(7-4-8-14-12)9-10-5-2-1-3-6-10;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;1-9-12-11(8-13-9)7-10-5-3-2-4-6-10;13-11-10(6-7-12-11)8-9-4-2-1-3-5-9;2*1-2-4-10(5-3-1)8-11-6-7-12-9-11;2*1-2-4-9(5-3-1)6-10-7-12-8-11-10/h2*1-9,11H,10H2;1,3-4,7-8,13H,2,5-6,9-11H2;1-10H,11H2;1-8H,9H2,(H,13,14);2*1-9H,10H2;1-8H,9H2;1-5,12H,6-10H2;1-7,9H,8H2;2-6,8,12H,1,7H2;1-5,10H,6-8H2,(H,12,13);2*1-7,9H,8H2;2*1-5,7-8H,6H2
InChIKeyAZSVEYXORQTNQC-UHFFFAOYSA-N
XLogP43.04
TPSA245.46 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002846.84
LogP ≤ 543.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene with MolForge

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Related Compounds

2-(1-benzothiophen-5-yl)-N-[4-[3-[5-[4-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]-1-benzofuran-7-yl]piperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 126661500
2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 126661827
2-[methyl-[[5-methyl-2-[4-[6-[4-[[[2-(2-methylphenoxy)-3-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]-3-pyridinyl]phenyl]-1,3-oxazol-4-yl]methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 142506807
2-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 143665774
CID 157291548
CID 157291548
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157483645
1-Benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene
CID 157490847
[1]Benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[3,2-c]pyridine;ethane;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157651753
tert-butyl N-[(2S)-1-[1-benzofuran-5-ylmethyl(benzyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-benzofuran-5-ylmethyl(benzyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(benzyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl-[(5-methyl-3-pyridinyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[1-benzofuran-5-ylmethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 157786101
2-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-(methylaminomethyl)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 158067035
N-[4-[4-[3-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 158072641
CID 158170674
CID 158170674

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene?
The IUPAC name of benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene (CID 163442536) is benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene.
What is the SMILES notation for benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene?
The canonical SMILES for benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene is C=C1NC(Cc2ccccc2)=CO1.O=C1NCCC1Cc1ccccc1.O=c1[nH]cccc1Cc1ccccc1.O=c1occcc1Cc1ccccc1.c1ccc(CC2CCCCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccn2)cc1.c1ccc(Cc2ccncc2)cc1.c1ccc(Cc2ccoc2)cc1.c1ccc(Cc2ccsc2)cc1.c1ccc(Cc2cnccn2)cc1.c1ccc(Cc2coc3ccccc23)cc1.c1ccc(Cc2cocn2)cc1.c1ccc(Cc2csc3ccccc23)cc1.c1ccc(Cc2cscn2)cc1.
What is the InChIKey of benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene?
The InChIKey is AZSVEYXORQTNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C15H12S.C13H18.C13H12.C12H11NO.2C12H11N.C12H10O2.C11H16N2.C11H10N2.C11H11NO.C11H13NO.C11H10O.C11H10S.C10H9NO.C10H9NS/c2*1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;14-12-11(7-4-8-13-12)9-10-5-2-1-3-6-10;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;13-12-11(7-4-8-14-12)9-10-5-2-1-3-6-10;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;1-9-12-11(8-13-9)7-10-5-3-2-4-6-10;13-11-10(6-7-12-11)8-9-4-2-1-3-5-9;2*1-2-4-10(5-3-1)8-11-6-7-12-9-11;2*1-2-4-9(5-3-1)6-10-7-12-8-11-10/h2*1-9,11H,10H2;1,3-4,7-8,13H,2,5-6,9-11H2;1-10H,11H2;1-8H,9H2,(H,13,14);2*1-9H,10H2;1-8H,9H2;1-5,12H,6-10H2;1-7,9H,8H2;2-6,8,12H,1,7H2;1-5,10H,6-8H2,(H,12,13);2*1-7,9H,8H2;2*1-5,7-8H,6H2.
What are the key properties of benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene?
benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene has a molecular weight of 2846.84 g/mol, XLogP of 43.04, 32 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;3-benzyl-1-benzofuran;3-benzyl-1-benzothiophene;3-benzylfuran;4-benzyl-2-methylidene-3H-1,3-oxazole;4-benzyl-1,3-oxazole;1-benzylpiperazine;3-benzylpyran-2-one;2-benzylpyrazine;2-benzylpyridine;4-benzylpyridine;3-benzyl-1H-pyridin-2-one;3-benzylpyrrolidin-2-one;4-benzyl-1,3-thiazole;3-benzylthiophene;cyclohexylmethylbenzene is sourced from PubChem (CID 163442536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).