3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine

C21H18Cl2N4 — CID 25101880

IUPAC3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
SMILESCCCn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C21H18Cl2N4/c1-2-11-27-19-6-4-3-5-18(19)26-21(27)14-12-17(23)20(24-13-14)25-16-9-7-15(22)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,24,25)
InChIKeySQNMRYKNNMMHDM-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.56
Rot. Bonds5

About 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine

3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine (PubChem CID 25101880) has the molecular formula C21H18Cl2N4 and a molecular weight of 397.31 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
PubChem CID25101880
Molecular FormulaC21H18Cl2N4
Molecular Weight397.31 g/mol
Exact Mass396.09
IUPAC Name3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
SMILESCCCn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C21H18Cl2N4/c1-2-11-27-19-6-4-3-5-18(19)26-21(27)14-12-17(23)20(24-13-14)25-16-9-7-15(22)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,24,25)
InChIKeySQNMRYKNNMMHDM-UHFFFAOYSA-N
XLogP6.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine (CID 25101880) is 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine is CCCn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The InChIKey is SQNMRYKNNMMHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4/c1-2-11-27-19-6-4-3-5-18(19)26-21(27)14-12-17(23)20(24-13-14)25-16-9-7-15(22)8-10-16/h3-10,12-13H,2,11H2,1H3,(H,24,25).
What are the key properties of 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine has a molecular weight of 397.31 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 25101880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).