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

C35H32N6 — CID 44563174

IUPAC1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C35H32N6/c1-4-9-32-39-33-23(2)20-26(35-38-29-12-7-8-13-30(29)40(35)3)21-31(33)41(32)22-24-14-16-25(17-15-24)27-10-5-6-11-28(27)34-36-18-19-37-34/h5-8,10-21H,4,9,22H2,1-3H3,(H,36,37)
InChIKeyKJEZIOOUSIRXFX-UHFFFAOYSA-N
MW536.68 g/mol
LogP7.96
Rot. Bonds7

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

1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole (PubChem CID 44563174) has the molecular formula C35H32N6 and a molecular weight of 536.68 g/mol. Its IUPAC name is 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
PubChem CID44563174
Molecular FormulaC35H32N6
Molecular Weight536.68 g/mol
Exact Mass536.27
IUPAC Name1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C35H32N6/c1-4-9-32-39-33-23(2)20-26(35-38-29-12-7-8-13-30(29)40(35)3)21-31(33)41(32)22-24-14-16-25(17-15-24)27-10-5-6-11-28(27)34-36-18-19-37-34/h5-8,10-21H,4,9,22H2,1-3H3,(H,36,37)
InChIKeyKJEZIOOUSIRXFX-UHFFFAOYSA-N
XLogP7.96
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The IUPAC name of 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole (CID 44563174) is 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole.
What is the SMILES notation for 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The canonical SMILES for 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2ncc[nH]2)cc1.
What is the InChIKey of 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The InChIKey is KJEZIOOUSIRXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N6/c1-4-9-32-39-33-23(2)20-26(35-38-29-12-7-8-13-30(29)40(35)3)21-31(33)41(32)22-24-14-16-25(17-15-24)27-10-5-6-11-28(27)34-36-18-19-37-34/h5-8,10-21H,4,9,22H2,1-3H3,(H,36,37).
What are the key properties of 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole has a molecular weight of 536.68 g/mol, XLogP of 7.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole is sourced from PubChem (CID 44563174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).