1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole

C18H18N2O — CID 139007627

IUPAC1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
SMILESc1ccc(OCc2nc3ccccc3n2CC2CC2)cc1
InChIInChI=1S/C18H18N2O/c1-2-6-15(7-3-1)21-13-18-19-16-8-4-5-9-17(16)20(18)12-14-10-11-14/h1-9,14H,10-13H2
InChIKeySGEJOPNVBDRUEW-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.03
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole

1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole (PubChem CID 139007627) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
PubChem CID139007627
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
SMILESc1ccc(OCc2nc3ccccc3n2CC2CC2)cc1
InChIInChI=1S/C18H18N2O/c1-2-6-15(7-3-1)21-13-18-19-16-8-4-5-9-17(16)20(18)12-14-10-11-14/h1-9,14H,10-13H2
InChIKeySGEJOPNVBDRUEW-UHFFFAOYSA-N
XLogP4.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole 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

oxalic acid;2-(phenoxymethyl)-1-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 121079280
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
(2,5-dichlorophenyl)-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]methanone
CID 121079067
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide
CID 121079245
2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
CID 2992200
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole (CID 139007627) is 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole is c1ccc(OCc2nc3ccccc3n2CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole?
The InChIKey is SGEJOPNVBDRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-6-15(7-3-1)21-13-18-19-16-8-4-5-9-17(16)20(18)12-14-10-11-14/h1-9,14H,10-13H2.
What are the key properties of 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole?
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole has a molecular weight of 278.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 139007627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).