2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine

C13H11ClN4 — CID 113447539

IUPAC2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine
SMILESCn1c(-c2ncccc2N)nc2cccc(Cl)c21
InChIInChI=1S/C13H11ClN4/c1-18-12-8(14)4-2-6-10(12)17-13(18)11-9(15)5-3-7-16-11/h2-7H,15H2,1H3
InChIKeyOKMSCSQGBGFHHF-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.87
Rot. Bonds1

About 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine

2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine (PubChem CID 113447539) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine
PubChem CID113447539
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine
SMILESCn1c(-c2ncccc2N)nc2cccc(Cl)c21
InChIInChI=1S/C13H11ClN4/c1-18-12-8(14)4-2-6-10(12)17-13(18)11-9(15)5-3-7-16-11/h2-7H,15H2,1H3
InChIKeyOKMSCSQGBGFHHF-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline
CID 54924343
3-(7-chloro-1-methylbenzimidazol-2-yl)-4,5-dimethylaniline
CID 63020864
4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 54920303
2-(3-chloro-2-methylphenyl)pyridin-3-amine
CID 82393115
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793614
2-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)pyridin-3-amine
CID 104740752
3-chloro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63722767
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 103442788
2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine
CID 90271670
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
3-(1,7-dimethylbenzimidazol-2-yl)-2-methylaniline
CID 81456663
2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine
CID 104743877

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine?
The IUPAC name of 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine (CID 113447539) is 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine is Cn1c(-c2ncccc2N)nc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine?
The InChIKey is OKMSCSQGBGFHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-18-12-8(14)4-2-6-10(12)17-13(18)11-9(15)5-3-7-16-11/h2-7H,15H2,1H3.
What are the key properties of 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine?
2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine has a molecular weight of 258.71 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 113447539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).