(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine

C12H14ClN3 — CID 115472454

IUPAC(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
SMILESCn1c(C(N)C2CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN3/c1-16-10-6-8(13)4-5-9(10)15-12(16)11(14)7-2-3-7/h4-7,11H,2-3,14H2,1H3
InChIKeyBKQWPPWNBOEXQZ-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.64
Rot. Bonds2

About (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine

(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine (PubChem CID 115472454) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
PubChem CID115472454
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
SMILESCn1c(C(N)C2CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN3/c1-16-10-6-8(13)4-5-9(10)15-12(16)11(14)7-2-3-7/h4-7,11H,2-3,14H2,1H3
InChIKeyBKQWPPWNBOEXQZ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine?
The IUPAC name of (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine (CID 115472454) is (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine.
What is the SMILES notation for (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine?
The canonical SMILES for (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine is Cn1c(C(N)C2CC2)nc2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine?
The InChIKey is BKQWPPWNBOEXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-10-6-8(13)4-5-9(10)15-12(16)11(14)7-2-3-7/h4-7,11H,2-3,14H2,1H3.
What are the key properties of (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine?
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine is sourced from PubChem (CID 115472454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).