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

C22H21ClN4O — CID 25099887

IUPAC3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
SMILESCCCn1c(-c2cnc(Nc3ccc(OC)cc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C22H21ClN4O/c1-3-12-27-20-7-5-4-6-19(20)26-22(27)15-13-18(23)21(24-14-15)25-16-8-10-17(28-2)11-9-16/h4-11,13-14H,3,12H2,1-2H3,(H,24,25)
InChIKeyREUIKJPCSZQCFD-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.91
Rot. Bonds6

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

3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine (PubChem CID 25099887) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
PubChem CID25099887
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
SMILESCCCn1c(-c2cnc(Nc3ccc(OC)cc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C22H21ClN4O/c1-3-12-27-20-7-5-4-6-19(20)26-22(27)15-13-18(23)21(24-14-15)25-16-8-10-17(28-2)11-9-16/h4-11,13-14H,3,12H2,1-2H3,(H,24,25)
InChIKeyREUIKJPCSZQCFD-UHFFFAOYSA-N
XLogP5.91
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine
CID 68721800
4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline
CID 115411295
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
CID 18879455

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine (CID 25099887) is 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine is CCCn1c(-c2cnc(Nc3ccc(OC)cc3)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
The InChIKey is REUIKJPCSZQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-3-12-27-20-7-5-4-6-19(20)26-22(27)15-13-18(23)21(24-14-15)25-16-8-10-17(28-2)11-9-16/h4-11,13-14H,3,12H2,1-2H3,(H,24,25).
What are the key properties of 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine?
3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine has a molecular weight of 392.89 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 25099887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).