1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide

C16H22N4O — CID 61250242

IUPAC1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCCn2cnc3ccccc32)CCCC1
InChIInChI=1S/C16H22N4O/c17-16(8-3-4-9-16)15(21)18-10-5-11-20-12-19-13-6-1-2-7-14(13)20/h1-2,6-7,12H,3-5,8-11,17H2,(H,18,21)
InChIKeyYTGLKOUQGDRKJS-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.81
Rot. Bonds5

About 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide

1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide (PubChem CID 61250242) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
PubChem CID61250242
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCCn2cnc3ccccc32)CCCC1
InChIInChI=1S/C16H22N4O/c17-16(8-3-4-9-16)15(21)18-10-5-11-20-12-19-13-6-1-2-7-14(13)20/h1-2,6-7,12H,3-5,8-11,17H2,(H,18,21)
InChIKeyYTGLKOUQGDRKJS-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
(E)-4-[3-(benzimidazol-1-yl)propylamino]-4-oxobut-2-enoic acid
CID 60940726
N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 75490845
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
(5S,7R)-3-acetamido-N-[3-(benzimidazol-1-yl)propyl]adamantane-1-carboxamide
CID 27786498
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide (CID 61250242) is 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide is NC1(C(=O)NCCCn2cnc3ccccc32)CCCC1.
What is the InChIKey of 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide?
The InChIKey is YTGLKOUQGDRKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-16(8-3-4-9-16)15(21)18-10-5-11-20-12-19-13-6-1-2-7-14(13)20/h1-2,6-7,12H,3-5,8-11,17H2,(H,18,21).
What are the key properties of 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 61250242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).