3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine

C20H18ClN5 — CID 53324080

IUPAC3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine
SMILESCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C20H18ClN5/c1-3-26-18-7-5-4-6-17(18)25-20(26)14-10-16(21)19(23-11-14)24-15-9-8-13(2)22-12-15/h4-12H,3H2,1-2H3,(H,23,24)
InChIKeyWPZQETQSLKKRKF-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.22
Rot. Bonds4

About 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine

3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine (PubChem CID 53324080) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine
PubChem CID53324080
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine
SMILESCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C20H18ClN5/c1-3-26-18-7-5-4-6-17(18)25-20(26)14-10-16(21)19(23-11-14)24-15-9-8-13(2)22-12-15/h4-12H,3H2,1-2H3,(H,23,24)
InChIKeyWPZQETQSLKKRKF-UHFFFAOYSA-N
XLogP5.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine (CID 53324080) is 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine is CCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The InChIKey is WPZQETQSLKKRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5/c1-3-26-18-7-5-4-6-17(18)25-20(26)14-10-16(21)19(23-11-14)24-15-9-8-13(2)22-12-15/h4-12H,3H2,1-2H3,(H,23,24).
What are the key properties of 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine has a molecular weight of 363.85 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-ethylbenzimidazol-2-yl)-N-(6-methyl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 53324080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).