5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C15H21N3O — CID 43370774

IUPAC5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCC1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-10(16-9-11-4-2-3-5-11)12-6-7-13-14(8-12)18-15(19)17-13/h6-8,10-11,16H,2-5,9H2,1H3,(H2,17,18,19)
InChIKeyDNFKYLYQGXRAII-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.70
Rot. Bonds4

About 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43370774) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43370774
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCC1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-10(16-9-11-4-2-3-5-11)12-6-7-13-14(8-12)18-15(19)17-13/h6-8,10-11,16H,2-5,9H2,1H3,(H2,17,18,19)
InChIKeyDNFKYLYQGXRAII-UHFFFAOYSA-N
XLogP2.70
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167769505
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 55172165
5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62977011
5-[1-(1,4-dioxan-2-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61024867
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65081705
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43370774) is 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NCC1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DNFKYLYQGXRAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(16-9-11-4-2-3-5-11)12-6-7-13-14(8-12)18-15(19)17-13/h6-8,10-11,16H,2-5,9H2,1H3,(H2,17,18,19).
What are the key properties of 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43370774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).