3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide

C18H26N4O — CID 119888825

IUPAC3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)n1c(CCNC(=O)C2CCC(N)C2)nc2ccccc21
InChIInChI=1S/C18H26N4O/c1-12(2)22-16-6-4-3-5-15(16)21-17(22)9-10-20-18(23)13-7-8-14(19)11-13/h3-6,12-14H,7-11,19H2,1-2H3,(H,20,23)
InChIKeyLSVQTPRHJWRXBO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds5

About 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 119888825) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID119888825
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCC(C)n1c(CCNC(=O)C2CCC(N)C2)nc2ccccc21
InChIInChI=1S/C18H26N4O/c1-12(2)22-16-6-4-3-5-15(16)21-17(22)9-10-20-18(23)13-7-8-14(19)11-13/h3-6,12-14H,7-11,19H2,1-2H3,(H,20,23)
InChIKeyLSVQTPRHJWRXBO-UHFFFAOYSA-N
XLogP2.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119888858
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CID 119835377
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 119888867
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834
N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989127
3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882360
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692173
N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexanecarboxamide
CID 53143762
N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 40639636
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide (CID 119888825) is 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide is CC(C)n1c(CCNC(=O)C2CCC(N)C2)nc2ccccc21.
What is the InChIKey of 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is LSVQTPRHJWRXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12(2)22-16-6-4-3-5-15(16)21-17(22)9-10-20-18(23)13-7-8-14(19)11-13/h3-6,12-14H,7-11,19H2,1-2H3,(H,20,23).
What are the key properties of 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119888825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).