1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane

C17H26N2 — CID 145068592

IUPAC1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
SMILESCCCCC.Cc1ccc2ncn(CC3CC3)c2c1
InChIInChI=1S/C12H14N2.C5H12/c1-9-2-5-11-12(6-9)14(8-13-11)7-10-3-4-10;1-3-5-4-2/h2,5-6,8,10H,3-4,7H2,1H3;3-5H2,1-2H3
InChIKeyWUPSSCMGWRNUGO-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.95
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane

1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane (PubChem CID 145068592) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
PubChem CID145068592
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
SMILESCCCCC.Cc1ccc2ncn(CC3CC3)c2c1
InChIInChI=1S/C12H14N2.C5H12/c1-9-2-5-11-12(6-9)14(8-13-11)7-10-3-4-10;1-3-5-4-2/h2,5-6,8,10H,3-4,7H2,1H3;3-5H2,1-2H3
InChIKeyWUPSSCMGWRNUGO-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-1-propylbenzimidazole
CID 122608641
1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
CID 115761322
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 145062266
N-[4-[3-(cyclopropylmethyl)benzimidazol-5-yl]-2-pyridinyl]acetamide
CID 134462843
1-(cyclopropylmethyl)-3,6-dimethylindazole
CID 129023140
1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole
CID 163950889
6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84786764
3-propylbenzimidazol-5-amine
CID 18379870
(6-methylbenzimidazol-1-yl)thallium
CID 142243531
5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole
CID 115582514
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane?
The IUPAC name of 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane (CID 145068592) is 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane?
The canonical SMILES for 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane is CCCCC.Cc1ccc2ncn(CC3CC3)c2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane?
The InChIKey is WUPSSCMGWRNUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C5H12/c1-9-2-5-11-12(6-9)14(8-13-11)7-10-3-4-10;1-3-5-4-2/h2,5-6,8,10H,3-4,7H2,1H3;3-5H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane?
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane has a molecular weight of 258.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane is sourced from PubChem (CID 145068592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).