1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea

C15H20N4O — CID 38220835

IUPAC1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C15H20N4O/c1-19(15(20)16-11-6-2-3-7-11)10-14-17-12-8-4-5-9-13(12)18-14/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,20)(H,17,18)
InChIKeyGEXLGQGJIODZEZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.65
Rot. Bonds3

About 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea

1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea (PubChem CID 38220835) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
PubChem CID38220835
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C15H20N4O/c1-19(15(20)16-11-6-2-3-7-11)10-14-17-12-8-4-5-9-13(12)18-14/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,20)(H,17,18)
InChIKeyGEXLGQGJIODZEZ-UHFFFAOYSA-N
XLogP2.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 110462326
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
CID 56789407
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
CID 124509076
N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
CID 110467360

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea (CID 38220835) is 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea is CN(Cc1nc2ccccc2[nH]1)C(=O)NC1CCCC1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea?
The InChIKey is GEXLGQGJIODZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(15(20)16-11-6-2-3-7-11)10-14-17-12-8-4-5-9-13(12)18-14/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea?
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea has a molecular weight of 272.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea is sourced from PubChem (CID 38220835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).