N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine

C15H21N3 — CID 79642755

IUPACN-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine
SMILESCCNC1CCC(n2c(C)nc3ccccc32)C1
InChIInChI=1S/C15H21N3/c1-3-16-12-8-9-13(10-12)18-11(2)17-14-6-4-5-7-15(14)18/h4-7,12-13,16H,3,8-10H2,1-2H3
InChIKeyHGOPTOSOANJAQK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.05
Rot. Bonds3

About N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine

N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine (PubChem CID 79642755) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine
PubChem CID79642755
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine
SMILESCCNC1CCC(n2c(C)nc3ccccc32)C1
InChIInChI=1S/C15H21N3/c1-3-16-12-8-9-13(10-12)18-11(2)17-14-6-4-5-7-15(14)18/h4-7,12-13,16H,3,8-10H2,1-2H3
InChIKeyHGOPTOSOANJAQK-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
CID 139266953
N-methyl-3-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970719
1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide
CID 79645930
2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
CID 162422976
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
3-(benzimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79644048
N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-3-(2,5-dimethylbenzimidazol-1-yl)cyclopentan-1-amine
CID 66876579
[1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentyl]methanol
CID 79648173
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-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
CID 126847861

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine (CID 79642755) is N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine is CCNC1CCC(n2c(C)nc3ccccc32)C1.
What is the InChIKey of N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine?
The InChIKey is HGOPTOSOANJAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-12-8-9-13(10-12)18-11(2)17-14-6-4-5-7-15(14)18/h4-7,12-13,16H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine?
N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylbenzimidazol-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 79642755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).