1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole

C18H19ClN2 — CID 974585

IUPAC1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
SMILESCC(C)Cc1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2/c1-13(2)10-18-20-16-8-3-4-9-17(16)21(18)12-14-6-5-7-15(19)11-14/h3-9,11,13H,10,12H2,1-2H3
InChIKeyNASVFYZJIYSVOA-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.94
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole

1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole (PubChem CID 974585) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
PubChem CID974585
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
SMILESCC(C)Cc1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2/c1-13(2)10-18-20-16-8-3-4-9-17(16)21(18)12-14-6-5-7-15(19)11-14/h3-9,11,13H,10,12H2,1-2H3
InChIKeyNASVFYZJIYSVOA-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 20930565
N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 134084372
1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine
CID 175232224
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
CID 16799897
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885131
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol
CID 134083465

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole (CID 974585) is 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole is CC(C)Cc1nc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole?
The InChIKey is NASVFYZJIYSVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-13(2)10-18-20-16-8-3-4-9-17(16)21(18)12-14-6-5-7-15(19)11-14/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole?
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole has a molecular weight of 298.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 974585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).