6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline

C81H66N10OS — CID 158088967

IUPAC6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline
SMILESCc1ccc(-c2cccc3cccnc23)cc1.Cc1nc2ccccc2c2nc3ccccc3n12.Cc1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1
InChIInChI=1S/C20H16N2.C16H13N.C15H11N3.C14H12N2.C8H7NO.C8H7NS/c1-15-21-19-9-5-6-10-20(19)22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-12-7-9-13(10-8-12)15-6-2-4-14-5-3-11-17-16(14)15;1-10-16-12-7-3-2-6-11(12)15-17-13-8-4-5-9-14(13)18(10)15;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;2*1-6-9-7-4-2-3-5-8(7)10-6/h2-14H,1H3;2-11H,1H3;2-9H,1H3;2-10H,1H3;2*2-5H,1H3
InChIKeyFNVZQHAKBCGDIB-UHFFFAOYSA-N
MW1227.55 g/mol
LogP20.63
Rot. Bonds4

About 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline

6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline (PubChem CID 158088967) has the molecular formula C81H66N10OS and a molecular weight of 1227.55 g/mol. Its IUPAC name is 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline.

Molecular Properties

Compound Name6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline
PubChem CID158088967
Molecular FormulaC81H66N10OS
Molecular Weight1227.55 g/mol
Exact Mass1226.51
IUPAC Name6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline
SMILESCc1ccc(-c2cccc3cccnc23)cc1.Cc1nc2ccccc2c2nc3ccccc3n12.Cc1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1
InChIInChI=1S/C20H16N2.C16H13N.C15H11N3.C14H12N2.C8H7NO.C8H7NS/c1-15-21-19-9-5-6-10-20(19)22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-12-7-9-13(10-8-12)15-6-2-4-14-5-3-11-17-16(14)15;1-10-16-12-7-3-2-6-11(12)15-17-13-8-4-5-9-14(13)18(10)15;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;2*1-6-9-7-4-2-3-5-8(7)10-6/h2-14H,1H3;2-11H,1H3;2-9H,1H3;2-10H,1H3;2*2-5H,1H3
InChIKeyFNVZQHAKBCGDIB-UHFFFAOYSA-N
XLogP20.63
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.55
LogP ≤ 520.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline with MolForge

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Related Compounds

2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline
CID 160970757
2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole
CID 143742531
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
CID 138705133
6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 139519792
1-[3-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236586
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;9-(4-methylphenyl)-3,6-bis[2-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 162206431
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 158558821

Frequently Asked Questions

What is the IUPAC name of 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline?
The IUPAC name of 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline (CID 158088967) is 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline.
What is the SMILES notation for 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline?
The canonical SMILES for 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline is Cc1ccc(-c2cccc3cccnc23)cc1.Cc1nc2ccccc2c2nc3ccccc3n12.Cc1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.
What is the InChIKey of 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline?
The InChIKey is FNVZQHAKBCGDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.C16H13N.C15H11N3.C14H12N2.C8H7NO.C8H7NS/c1-15-21-19-9-5-6-10-20(19)22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-12-7-9-13(10-8-12)15-6-2-4-14-5-3-11-17-16(14)15;1-10-16-12-7-3-2-6-11(12)15-17-13-8-4-5-9-14(13)18(10)15;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;2*1-6-9-7-4-2-3-5-8(7)10-6/h2-14H,1H3;2-11H,1H3;2-9H,1H3;2-10H,1H3;2*2-5H,1H3.
What are the key properties of 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline?
6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline has a molecular weight of 1227.55 g/mol, XLogP of 20.63, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzimidazolo[1,2-c]quinazoline;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-(4-phenylphenyl)benzimidazole;8-(4-methylphenyl)quinoline is sourced from PubChem (CID 158088967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).