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

C16H23N3O — CID 63822548

IUPAC5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCC1(C)CCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-11(17-10-16(2)7-3-4-8-16)12-5-6-13-14(9-12)19-15(20)18-13/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H2,18,19,20)
InChIKeyBBNOKBNGZIQBGS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.09
Rot. Bonds4

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

5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 63822548) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID63822548
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCC1(C)CCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-11(17-10-16(2)7-3-4-8-16)12-5-6-13-14(9-12)19-15(20)18-13/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H2,18,19,20)
InChIKeyBBNOKBNGZIQBGS-UHFFFAOYSA-N
XLogP3.09
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-2-ylethanamine
CID 63821863
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 55172165
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
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
N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63822061

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 63822548) is 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NCC1(C)CCCC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BBNOKBNGZIQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(17-10-16(2)7-3-4-8-16)12-5-6-13-14(9-12)19-15(20)18-13/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 63822548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).