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

C21H20ClN5 — CID 53321433

IUPAC3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
SMILESCCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C21H20ClN5/c1-3-10-27-19-7-5-4-6-18(19)26-21(27)15-11-17(22)20(24-12-15)25-16-9-8-14(2)23-13-16/h4-9,11-13H,3,10H2,1-2H3,(H,24,25)
InChIKeyWEGQZOQLVXNSEV-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.61
Rot. Bonds5

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

3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine (PubChem CID 53321433) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
PubChem CID53321433
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
SMILESCCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C21H20ClN5/c1-3-10-27-19-7-5-4-6-18(19)26-21(27)15-11-17(22)20(24-12-15)25-16-9-8-14(2)23-13-16/h4-9,11-13H,3,10H2,1-2H3,(H,24,25)
InChIKeyWEGQZOQLVXNSEV-UHFFFAOYSA-N
XLogP5.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine (CID 53321433) is 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine is CCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The InChIKey is WEGQZOQLVXNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c1-3-10-27-19-7-5-4-6-18(19)26-21(27)15-11-17(22)20(24-12-15)25-16-9-8-14(2)23-13-16/h4-9,11-13H,3,10H2,1-2H3,(H,24,25).
What are the key properties of 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine has a molecular weight of 377.88 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-methyl-3-pyridinyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 53321433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).