5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine

C14H13ClN4 — CID 55166004

IUPAC5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
SMILESCCn1c(-c2cncc(N)c2)nc2cccc(Cl)c21
InChIInChI=1S/C14H13ClN4/c1-2-19-13-11(15)4-3-5-12(13)18-14(19)9-6-10(16)8-17-7-9/h3-8H,2,16H2,1H3
InChIKeyZQVAUILWQYWFAL-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.35
Rot. Bonds2

About 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine

5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine (PubChem CID 55166004) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
PubChem CID55166004
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
SMILESCCn1c(-c2cncc(N)c2)nc2cccc(Cl)c21
InChIInChI=1S/C14H13ClN4/c1-2-19-13-11(15)4-3-5-12(13)18-14(19)9-6-10(16)8-17-7-9/h3-8H,2,16H2,1H3
InChIKeyZQVAUILWQYWFAL-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine?
The IUPAC name of 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine (CID 55166004) is 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine is CCn1c(-c2cncc(N)c2)nc2cccc(Cl)c21.
What is the InChIKey of 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine?
The InChIKey is ZQVAUILWQYWFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-2-19-13-11(15)4-3-5-12(13)18-14(19)9-6-10(16)8-17-7-9/h3-8H,2,16H2,1H3.
What are the key properties of 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine?
5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine has a molecular weight of 272.74 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 55166004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).