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

C22H20Cl2N4 — CID 68721800

IUPAC5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine
SMILESCCCCn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C22H20Cl2N4/c1-2-3-12-28-20-7-5-4-6-19(20)27-22(28)15-13-18(24)21(25-14-15)26-17-10-8-16(23)9-11-17/h4-11,13-14H,2-3,12H2,1H3,(H,25,26)
InChIKeyUMKDFBXYVLYHEY-UHFFFAOYSA-N
MW411.34 g/mol
LogP6.95
Rot. Bonds6

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

5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine (PubChem CID 68721800) has the molecular formula C22H20Cl2N4 and a molecular weight of 411.34 g/mol. Its IUPAC name is 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine
PubChem CID68721800
Molecular FormulaC22H20Cl2N4
Molecular Weight411.34 g/mol
Exact Mass410.11
IUPAC Name5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine
SMILESCCCCn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C22H20Cl2N4/c1-2-3-12-28-20-7-5-4-6-19(20)27-22(28)15-13-18(24)21(25-14-15)26-17-10-8-16(23)9-11-17/h4-11,13-14H,2-3,12H2,1H3,(H,25,26)
InChIKeyUMKDFBXYVLYHEY-UHFFFAOYSA-N
XLogP6.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 25099887
3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine
CID 68721205
3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane
CID 143551035
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
CID 102420307
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine
CID 24784987
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
1-[4-(2-chlorophenoxy)butyl]-2-(4-chlorophenyl)benzimidazole
CID 17001082
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669

Frequently Asked Questions

What is the IUPAC name of 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine?
The IUPAC name of 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine (CID 68721800) is 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine?
The canonical SMILES for 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine is CCCCn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine?
The InChIKey is UMKDFBXYVLYHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4/c1-2-3-12-28-20-7-5-4-6-19(20)27-22(28)15-13-18(24)21(25-14-15)26-17-10-8-16(23)9-11-17/h4-11,13-14H,2-3,12H2,1H3,(H,25,26).
What are the key properties of 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine?
5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine has a molecular weight of 411.34 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(4-chlorophenyl)pyridin-2-amine is sourced from PubChem (CID 68721800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).