2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C16H22N4O — CID 79572724

IUPAC2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCn1cnc2ccccc21
InChIInChI=1S/C16H22N4O/c1-18-16(15(17)21)9-4-5-12(16)8-10-20-11-19-13-6-2-3-7-14(13)20/h2-3,6-7,11-12,18H,4-5,8-10H2,1H3,(H2,17,21)
InChIKeyVDXQUUPSCKPNHI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.67
Rot. Bonds5

About 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79572724) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79572724
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCn1cnc2ccccc21
InChIInChI=1S/C16H22N4O/c1-18-16(15(17)21)9-4-5-12(16)8-10-20-11-19-13-6-2-3-7-14(13)20/h2-3,6-7,11-12,18H,4-5,8-10H2,1H3,(H2,17,21)
InChIKeyVDXQUUPSCKPNHI-UHFFFAOYSA-N
XLogP1.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232
2-[2-(N,2-dimethylanilino)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573813
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564242
1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 61250242
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111445290
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide
CID 63039363
1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79587868
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95157495
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5035462
2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine
CID 110029560

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 79572724) is 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCn1cnc2ccccc21.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is VDXQUUPSCKPNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-18-16(15(17)21)9-4-5-12(16)8-10-20-11-19-13-6-2-3-7-14(13)20/h2-3,6-7,11-12,18H,4-5,8-10H2,1H3,(H2,17,21).
What are the key properties of 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79572724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).