[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine

C12H14ClN3 — CID 115450556

IUPAC[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESCn1c(C2(CN)CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClN3/c1-16-10-3-2-8(13)6-9(10)15-11(16)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3
InChIKeyZYCSNLCXBBOFDO-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.22
Rot. Bonds2

About [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine

[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine (PubChem CID 115450556) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
PubChem CID115450556
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESCn1c(C2(CN)CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClN3/c1-16-10-3-2-8(13)6-9(10)15-11(16)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3
InChIKeyZYCSNLCXBBOFDO-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 113312218
[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 115445727
[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443651
[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450565
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
[1-(1-methylimidazo[4,5-c]pyridin-2-yl)cycloheptyl]methanamine
CID 115443687
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203
5-chloro-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983205
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780786
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 113316532

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine (CID 115450556) is [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine is Cn1c(C2(CN)CC2)nc2cc(Cl)ccc21.
What is the InChIKey of [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine?
The InChIKey is ZYCSNLCXBBOFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-10-3-2-8(13)6-9(10)15-11(16)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3.
What are the key properties of [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine?
[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 115450556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).