1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

C26H27ClN2 — CID 3610995

IUPAC1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C26H27ClN2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-28-24-10-6-7-11-25(24)29(26)17-22-8-4-5-9-23(22)27/h4-15,18-19H,16-17H2,1-3H3
InChIKeyRSOFSWHYZCGXSL-UHFFFAOYSA-N
MW402.97 g/mol
LogP7.09
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 3610995) has the molecular formula C26H27ClN2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID3610995
Molecular FormulaC26H27ClN2
Molecular Weight402.97 g/mol
Exact Mass402.19
IUPAC Name1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C26H27ClN2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-28-24-10-6-7-11-25(24)29(26)17-22-8-4-5-9-23(22)27/h4-15,18-19H,16-17H2,1-3H3
InChIKeyRSOFSWHYZCGXSL-UHFFFAOYSA-N
XLogP7.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 3610995) is 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is RSOFSWHYZCGXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-28-24-10-6-7-11-25(24)29(26)17-22-8-4-5-9-23(22)27/h4-15,18-19H,16-17H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 402.97 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 3610995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).