(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine

C10H12ClN3 — CID 84621320

IUPAC(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
SMILESCc1cc(Cl)cc2c1nc(CN)n2C
InChIInChI=1S/C10H12ClN3/c1-6-3-7(11)4-8-10(6)13-9(5-12)14(8)2/h3-4H,5,12H2,1-2H3
InChIKeyINHDCSQUNJWXRE-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.99
Rot. Bonds1

About (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine

(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine (PubChem CID 84621320) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
PubChem CID84621320
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
SMILESCc1cc(Cl)cc2c1nc(CN)n2C
InChIInChI=1S/C10H12ClN3/c1-6-3-7(11)4-8-10(6)13-9(5-12)14(8)2/h3-4H,5,12H2,1-2H3
InChIKeyINHDCSQUNJWXRE-UHFFFAOYSA-N
XLogP1.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine?
The IUPAC name of (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine (CID 84621320) is (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine?
The canonical SMILES for (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine is Cc1cc(Cl)cc2c1nc(CN)n2C.
What is the InChIKey of (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine?
The InChIKey is INHDCSQUNJWXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6-3-7(11)4-8-10(6)13-9(5-12)14(8)2/h3-4H,5,12H2,1-2H3.
What are the key properties of (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine?
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine has a molecular weight of 209.68 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 84621320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).