[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine

C12H14ClN3 — CID 115450565

IUPAC[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESCn1c(C2(CN)CC2)nc2cccc(Cl)c21
InChIInChI=1S/C12H14ClN3/c1-16-10-8(13)3-2-4-9(10)15-11(16)12(7-14)5-6-12/h2-4H,5-7,14H2,1H3
InChIKeyMVBIUCTUJJILLP-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.22
Rot. Bonds2

About [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine

[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine (PubChem CID 115450565) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
PubChem CID115450565
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
SMILESCn1c(C2(CN)CC2)nc2cccc(Cl)c21
InChIInChI=1S/C12H14ClN3/c1-16-10-8(13)3-2-4-9(10)15-11(16)12(7-14)5-6-12/h2-4H,5-7,14H2,1H3
InChIKeyMVBIUCTUJJILLP-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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Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine (CID 115450565) is [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine is Cn1c(C2(CN)CC2)nc2cccc(Cl)c21.
What is the InChIKey of [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine?
The InChIKey is MVBIUCTUJJILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-10-8(13)3-2-4-9(10)15-11(16)12(7-14)5-6-12/h2-4H,5-7,14H2,1H3.
What are the key properties of [1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine?
[1-(7-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-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 115450565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).