[2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine

C16H22ClN3 — CID 115473033

IUPAC[2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine
SMILESCC(C)n1c(C2CCCC2CN)nc2ccc(Cl)cc21
InChIInChI=1S/C16H22ClN3/c1-10(2)20-15-8-12(17)6-7-14(15)19-16(20)13-5-3-4-11(13)9-18/h6-8,10-11,13H,3-5,9,18H2,1-2H3
InChIKeyYEJKSDCOQXNXLG-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.11
Rot. Bonds3

About [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine

[2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine (PubChem CID 115473033) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine
PubChem CID115473033
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name[2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine
SMILESCC(C)n1c(C2CCCC2CN)nc2ccc(Cl)cc21
InChIInChI=1S/C16H22ClN3/c1-10(2)20-15-8-12(17)6-7-14(15)19-16(20)13-5-3-4-11(13)9-18/h6-8,10-11,13H,3-5,9,18H2,1-2H3
InChIKeyYEJKSDCOQXNXLG-UHFFFAOYSA-N
XLogP4.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine (CID 115473033) is [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine is CC(C)n1c(C2CCCC2CN)nc2ccc(Cl)cc21.
What is the InChIKey of [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine?
The InChIKey is YEJKSDCOQXNXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-10(2)20-15-8-12(17)6-7-14(15)19-16(20)13-5-3-4-11(13)9-18/h6-8,10-11,13H,3-5,9,18H2,1-2H3.
What are the key properties of [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine?
[2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine has a molecular weight of 291.83 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 115473033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).