1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide

C16H22N4O — CID 79645930

IUPAC1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(n2c(C)nc3ccccc32)C1
InChIInChI=1S/C16H22N4O/c1-3-18-16(15(17)21)9-8-12(10-16)20-11(2)19-13-6-4-5-7-14(13)20/h4-7,12,18H,3,8-10H2,1-2H3,(H2,17,21)
InChIKeyTYQWKQMBQAFPMB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.90
Rot. Bonds4

About 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide

1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide (PubChem CID 79645930) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide
PubChem CID79645930
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(n2c(C)nc3ccccc32)C1
InChIInChI=1S/C16H22N4O/c1-3-18-16(15(17)21)9-8-12(10-16)20-11(2)19-13-6-4-5-7-14(13)20/h4-7,12,18H,3,8-10H2,1-2H3,(H2,17,21)
InChIKeyTYQWKQMBQAFPMB-UHFFFAOYSA-N
XLogP1.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate
CID 79645933
[1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentyl]methanol
CID 79648173
1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79641857
[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol
CID 79640325
3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79645704
1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide
CID 79650892
N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine
CID 79642755
1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79651601
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79651559
cis-(1S,2S)-2-[[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-1-phenylcyclopropan-1-amine
CID 68881561
1-(ethylamino)-3-hydroxycyclopentane-1-carboxamide
CID 164648441
1-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79651425

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide (CID 79645930) is 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(n2c(C)nc3ccccc32)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide?
The InChIKey is TYQWKQMBQAFPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-18-16(15(17)21)9-8-12(10-16)20-11(2)19-13-6-4-5-7-14(13)20/h4-7,12,18H,3,8-10H2,1-2H3,(H2,17,21).
What are the key properties of 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide?
1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79645930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).