5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine

C16H16ClFN4 — CID 171660900

IUPAC5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
SMILESCc1nc2c(F)cc(-c3cc(N)ncc3Cl)cc2n1C(C)C
InChIInChI=1S/C16H16ClFN4/c1-8(2)22-9(3)21-16-13(18)4-10(5-14(16)22)11-6-15(19)20-7-12(11)17/h4-8H,1-3H3,(H2,19,20)
InChIKeyHBCVCOPHMBAQGG-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.36
Rot. Bonds2

About 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine

5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine (PubChem CID 171660900) has the molecular formula C16H16ClFN4 and a molecular weight of 318.78 g/mol. Its IUPAC name is 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
PubChem CID171660900
Molecular FormulaC16H16ClFN4
Molecular Weight318.78 g/mol
Exact Mass318.10
IUPAC Name5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
SMILESCc1nc2c(F)cc(-c3cc(N)ncc3Cl)cc2n1C(C)C
InChIInChI=1S/C16H16ClFN4/c1-8(2)22-9(3)21-16-13(18)4-10(5-14(16)22)11-6-15(19)20-7-12(11)17/h4-8H,1-3H3,(H2,19,20)
InChIKeyHBCVCOPHMBAQGG-UHFFFAOYSA-N
XLogP4.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)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

Related Compounds

5-chloro-4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
CID 171659655
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine
CID 135162251
6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
CID 122667380
4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
CID 142373688
5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-oxaspiro[3.4]octan-8-ol
CID 171659707
(1S,3R,4R)-4-[[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]cyclohexane-1,3-diol
CID 171660559
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
CID 177312133
4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
CID 135162333
5-chloro-N-[[(2S,5S)-5-ethyloxolan-2-yl]methyl]-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 171661447
4-[[[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 171660151
2-[4-[[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetonitrile
CID 171660311
[3-[[[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]methyl]oxetan-3-yl]methanol
CID 171660721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine (CID 171660900) is 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine is Cc1nc2c(F)cc(-c3cc(N)ncc3Cl)cc2n1C(C)C.
What is the InChIKey of 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine?
The InChIKey is HBCVCOPHMBAQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4/c1-8(2)22-9(3)21-16-13(18)4-10(5-14(16)22)11-6-15(19)20-7-12(11)17/h4-8H,1-3H3,(H2,19,20).
What are the key properties of 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine?
5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine has a molecular weight of 318.78 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 171660900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).