1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

C33H32N4O — CID 24804923

IUPAC1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H32N4O/c1-5-8-31-35-32-22(2)19-26(33-34-28-9-6-7-10-29(28)36(33)3)20-30(32)37(31)21-23-11-13-24(14-12-23)25-15-17-27(38-4)18-16-25/h6-7,9-20H,5,8,21H2,1-4H3
InChIKeyNCLVQQFFOHACNH-UHFFFAOYSA-N
MW500.65 g/mol
LogP7.57
Rot. Bonds7

About 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole (PubChem CID 24804923) has the molecular formula C33H32N4O and a molecular weight of 500.65 g/mol. Its IUPAC name is 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
PubChem CID24804923
Molecular FormulaC33H32N4O
Molecular Weight500.65 g/mol
Exact Mass500.26
IUPAC Name1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H32N4O/c1-5-8-31-35-32-22(2)19-26(33-34-28-9-6-7-10-29(28)36(33)3)20-30(32)37(31)21-23-11-13-24(14-12-23)25-15-17-27(38-4)18-16-25/h6-7,9-20H,5,8,21H2,1-4H3
InChIKeyNCLVQQFFOHACNH-UHFFFAOYSA-N
XLogP7.57
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The IUPAC name of 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole (CID 24804923) is 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole.
What is the SMILES notation for 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The canonical SMILES for 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The InChIKey is NCLVQQFFOHACNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O/c1-5-8-31-35-32-22(2)19-26(33-34-28-9-6-7-10-29(28)36(33)3)20-30(32)37(31)21-23-11-13-24(14-12-23)25-15-17-27(38-4)18-16-25/h6-7,9-20H,5,8,21H2,1-4H3.
What are the key properties of 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole has a molecular weight of 500.65 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole is sourced from PubChem (CID 24804923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).