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

C13H16ClN3 — CID 113312218

IUPAC[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESCCn1c(C2(CN)CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3/c1-2-17-11-4-3-9(14)7-10(11)16-12(17)13(8-15)5-6-13/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyLCBFSWXKGUZAAN-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.70
Rot. Bonds3

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

[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine (PubChem CID 113312218) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine
PubChem CID113312218
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESCCn1c(C2(CN)CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClN3/c1-2-17-11-4-3-9(14)7-10(11)16-12(17)13(8-15)5-6-13/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyLCBFSWXKGUZAAN-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450556
4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine
CID 115292258
4-[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]oxyaniline
CID 118456212
5-chloro-1-ethyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
CID 83070865
[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)cyclopentyl]methanamine
CID 115433491
[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162135
[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443673
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine
CID 64889974
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine
CID 106829194
[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450574

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine (CID 113312218) is [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine is CCn1c(C2(CN)CC2)nc2cc(Cl)ccc21.
What is the InChIKey of [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine?
The InChIKey is LCBFSWXKGUZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-17-11-4-3-9(14)7-10(11)16-12(17)13(8-15)5-6-13/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine?
[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine has a molecular weight of 249.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 113312218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).