1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole

C83H90Cl2N10 — CID 158835352

IUPAC1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole
SMILESCc1ccc(Cc2cncn2C)cc1.Cc1ccc(Cc2cncn2Cc2ccc(C)c(C)c2)cc1C.Cc1cccc(C)c1Cc1cncn1Cc1c(C)cccc1C.Cc1ccccc1Cc1cncn1C.Clc1ccccc1Cc1cncn1Cc1ccccc1Cl
InChIInChI=1S/2C21H24N2.C17H14Cl2N2.2C12H14N2/c1-15-5-7-19(9-17(15)3)11-21-12-22-14-23(21)13-20-8-6-16(2)18(4)10-20;1-15-7-5-8-16(2)20(15)11-19-12-22-14-23(19)13-21-17(3)9-6-10-18(21)4;18-16-7-3-1-5-13(16)9-15-10-20-12-21(15)11-14-6-2-4-8-17(14)19;1-10-3-5-11(6-4-10)7-12-8-13-9-14(12)2;1-10-5-3-4-6-11(10)7-12-8-13-9-14(12)2/h2*5-10,12,14H,11,13H2,1-4H3;1-8,10,12H,9,11H2;2*3-6,8-9H,7H2,1-2H3
InChIKeyIXOHKUQRBWJFQR-UHFFFAOYSA-N
MW1298.61 g/mol
LogP18.98
Rot. Bonds16

About 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole

1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole (PubChem CID 158835352) has the molecular formula C83H90Cl2N10 and a molecular weight of 1298.61 g/mol. Its IUPAC name is 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole
PubChem CID158835352
Molecular FormulaC83H90Cl2N10
Molecular Weight1298.61 g/mol
Exact Mass1296.67
IUPAC Name1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole
SMILESCc1ccc(Cc2cncn2C)cc1.Cc1ccc(Cc2cncn2Cc2ccc(C)c(C)c2)cc1C.Cc1cccc(C)c1Cc1cncn1Cc1c(C)cccc1C.Cc1ccccc1Cc1cncn1C.Clc1ccccc1Cc1cncn1Cc1ccccc1Cl
InChIInChI=1S/2C21H24N2.C17H14Cl2N2.2C12H14N2/c1-15-5-7-19(9-17(15)3)11-21-12-22-14-23(21)13-20-8-6-16(2)18(4)10-20;1-15-7-5-8-16(2)20(15)11-19-12-22-14-23(19)13-21-17(3)9-6-10-18(21)4;18-16-7-3-1-5-13(16)9-15-10-20-12-21(15)11-14-6-2-4-8-17(14)19;1-10-3-5-11(6-4-10)7-12-8-13-9-14(12)2;1-10-5-3-4-6-11(10)7-12-8-13-9-14(12)2/h2*5-10,12,14H,11,13H2,1-4H3;1-8,10,12H,9,11H2;2*3-6,8-9H,7H2,1-2H3
InChIKeyIXOHKUQRBWJFQR-UHFFFAOYSA-N
XLogP18.98
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001298.61
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole with MolForge

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Related Compounds

4-[[3-[[4-(2-Chloro-4-fluorophenyl)phenyl]methyl]-2-[5-[(4-cyanophenyl)methyl]-1-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-2-yl]imidazol-4-yl]methyl]benzonitrile
CID 70296831
2-Amino-5-(4-chlorophenyl)-1-methylimidazole
CID 139065146
1,2,3,4,5,6-Hexakis(4-(1h-imidazol-1-yl)phenyl)benzene
CID 168499776
1-[(2-Chlorophenyl)-diphenylmethyl]-5-[2-[4-[(5-methylimidazol-1-yl)methyl]phenyl]phenyl]tetrazole
CID 25118255
N1-Trityl-deshydroxymethyl Losartan
CID 25118258
7,12,17,24-Tetrakis[2-[3-(3-methylimidazol-1-ium-1-yl)propyl]phenyl]-22,25-diaza-2,23-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13(23),14,16,18,20-undecaene
CID 58319930
2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole
CID 58554891
4-[[3-[(3-Chloro-4-phenylphenyl)methyl]-2-[1-[(2-chloro-4-phenylphenyl)methyl]-5-[(4-cyanophenyl)methyl]imidazol-2-yl]imidazol-4-yl]methyl]benzonitrile
CID 69597432
4-[[3-[(2-Chloro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile;4-[[3-[(3-chloro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 69597435
4-[[3-[[4-(2-Chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile;4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 70296832
5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole
CID 88506910
25,26-Bis[2,6-bis[3-(3-methylimidazol-3-ium-1-yl)propyl]phenyl]-22,24-diaza-10,12-diazoniaoctacyclo[19.3.1.19,13.04,24.06,10.011,23.012,16.018,22]hexacosa-1(25),2,4,6(10),7,9(26),12,14,16,18,20-undecaene
CID 123958248

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole?
The IUPAC name of 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole (CID 158835352) is 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole.
What is the SMILES notation for 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole?
The canonical SMILES for 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole is Cc1ccc(Cc2cncn2C)cc1.Cc1ccc(Cc2cncn2Cc2ccc(C)c(C)c2)cc1C.Cc1cccc(C)c1Cc1cncn1Cc1c(C)cccc1C.Cc1ccccc1Cc1cncn1C.Clc1ccccc1Cc1cncn1Cc1ccccc1Cl.
What is the InChIKey of 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole?
The InChIKey is IXOHKUQRBWJFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24N2.C17H14Cl2N2.2C12H14N2/c1-15-5-7-19(9-17(15)3)11-21-12-22-14-23(21)13-20-8-6-16(2)18(4)10-20;1-15-7-5-8-16(2)20(15)11-19-12-22-14-23(19)13-21-17(3)9-6-10-18(21)4;18-16-7-3-1-5-13(16)9-15-10-20-12-21(15)11-14-6-2-4-8-17(14)19;1-10-3-5-11(6-4-10)7-12-8-13-9-14(12)2;1-10-5-3-4-6-11(10)7-12-8-13-9-14(12)2/h2*5-10,12,14H,11,13H2,1-4H3;1-8,10,12H,9,11H2;2*3-6,8-9H,7H2,1-2H3.
What are the key properties of 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole?
1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole has a molecular weight of 1298.61 g/mol, XLogP of 18.98, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2,6-dimethylphenyl)methyl]imidazole;1,5-bis[(3,4-dimethylphenyl)methyl]imidazole;1-methyl-5-[(2-methylphenyl)methyl]imidazole;1-methyl-5-[(4-methylphenyl)methyl]imidazole is sourced from PubChem (CID 158835352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).