2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole

C24H22N4 — CID 154733183

IUPAC2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
SMILESCc1nc2ccccc2n1Cc1ccccc1Cn1c(C)nc2ccccc21
InChIInChI=1S/C24H22N4/c1-17-25-21-11-5-7-13-23(21)27(17)15-19-9-3-4-10-20(19)16-28-18(2)26-22-12-6-8-14-24(22)28/h3-14H,15-16H2,1-2H3
InChIKeyJNAIALHQFMDGOZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.10
Rot. Bonds4

About 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole

2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole (PubChem CID 154733183) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
PubChem CID154733183
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
SMILESCc1nc2ccccc2n1Cc1ccccc1Cn1c(C)nc2ccccc21
InChIInChI=1S/C24H22N4/c1-17-25-21-11-5-7-13-23(21)27(17)15-19-9-3-4-10-20(19)16-28-18(2)26-22-12-6-8-14-24(22)28/h3-14H,15-16H2,1-2H3
InChIKeyJNAIALHQFMDGOZ-UHFFFAOYSA-N
XLogP5.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 709571
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1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
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2-fluoro-3-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
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1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
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1-(2,2-dimethylpropyl)-2-methylbenzimidazole
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2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 102879181
3-[(2-methylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43244444
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?
The IUPAC name of 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole (CID 154733183) is 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole is Cc1nc2ccccc2n1Cc1ccccc1Cn1c(C)nc2ccccc21.
What is the InChIKey of 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?
The InChIKey is JNAIALHQFMDGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-17-25-21-11-5-7-13-23(21)27(17)15-19-9-3-4-10-20(19)16-28-18(2)26-22-12-6-8-14-24(22)28/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole?
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole has a molecular weight of 366.47 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 154733183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).