3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine

C15H21N3 — CID 66032382

IUPAC3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
SMILESCC(C)n1c(C2CCC(N)C2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-10(2)18-14-6-4-3-5-13(14)17-15(18)11-7-8-12(16)9-11/h3-6,10-12H,7-9,16H2,1-2H3
InChIKeyYQYWASICFYYTTC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.21
Rot. Bonds2

About 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine

3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine (PubChem CID 66032382) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
PubChem CID66032382
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
SMILESCC(C)n1c(C2CCC(N)C2)nc2ccccc21
InChIInChI=1S/C15H21N3/c1-10(2)18-14-6-4-3-5-13(14)17-15(18)11-7-8-12(16)9-11/h3-6,10-12H,7-9,16H2,1-2H3
InChIKeyYQYWASICFYYTTC-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044382
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
2-(azepan-2-yl)-1-propan-2-ylbenzimidazole
CID 64559378
3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119888825
[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 79525751
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
1-(4-methylphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3741589
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
CID 84693728
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine (CID 66032382) is 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine is CC(C)n1c(C2CCC(N)C2)nc2ccccc21.
What is the InChIKey of 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine?
The InChIKey is YQYWASICFYYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)18-14-6-4-3-5-13(14)17-15(18)11-7-8-12(16)9-11/h3-6,10-12H,7-9,16H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine?
3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 66032382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).