4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole

C18H17ClN2 — CID 170985390

IUPAC4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole
SMILESCn1c(C2CC2)nc2c(-c3ccc(CCl)cc3)cccc21
InChIInChI=1S/C18H17ClN2/c1-21-16-4-2-3-15(13-7-5-12(11-19)6-8-13)17(16)20-18(21)14-9-10-14/h2-8,14H,9-11H2,1H3
InChIKeyUTKASHQGWKGHQF-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.86
Rot. Bonds3

About 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole

4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole (PubChem CID 170985390) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole.

Molecular Properties

Compound Name4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole
PubChem CID170985390
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole
SMILESCn1c(C2CC2)nc2c(-c3ccc(CCl)cc3)cccc21
InChIInChI=1S/C18H17ClN2/c1-21-16-4-2-3-15(13-7-5-12(11-19)6-8-13)17(16)20-18(21)14-9-10-14/h2-8,14H,9-11H2,1H3
InChIKeyUTKASHQGWKGHQF-UHFFFAOYSA-N
XLogP4.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
CID 141096815
(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine
CID 104721457
5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole
CID 170334800
2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine
CID 63668733
4-(4-bromophenyl)-1-methylbenzimidazol-2-amine
CID 141059444
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592
5-[2-cyclopropyl-6-(ethylsulfonylmethyl)-1-methylbenzimidazol-4-yl]-1,3-dimethylpyridin-2-one
CID 147751988
[1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine
CID 104721367
2-(4,4-difluorocyclohexyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720719
[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 82473927
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82497493

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole?
The IUPAC name of 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole (CID 170985390) is 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole.
What is the SMILES notation for 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole?
The canonical SMILES for 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole is Cn1c(C2CC2)nc2c(-c3ccc(CCl)cc3)cccc21.
What is the InChIKey of 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole?
The InChIKey is UTKASHQGWKGHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-21-16-4-2-3-15(13-7-5-12(11-19)6-8-13)17(16)20-18(21)14-9-10-14/h2-8,14H,9-11H2,1H3.
What are the key properties of 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole?
4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole has a molecular weight of 296.80 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole is sourced from PubChem (CID 170985390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).