4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole

C17H19F2N3 — CID 135162333

IUPAC4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(F)cc(C3=CC(C)NC=C3F)cc2n1C(C)C
InChIInChI=1S/C17H19F2N3/c1-9(2)22-11(4)21-17-14(18)6-12(7-16(17)22)13-5-10(3)20-8-15(13)19/h5-10,20H,1-4H3
InChIKeyWONXZGDXRSXAGZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.25
Rot. Bonds2

About 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole

4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole (PubChem CID 135162333) has the molecular formula C17H19F2N3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
PubChem CID135162333
Molecular FormulaC17H19F2N3
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(F)cc(C3=CC(C)NC=C3F)cc2n1C(C)C
InChIInChI=1S/C17H19F2N3/c1-9(2)22-11(4)21-17-14(18)6-12(7-16(17)22)13-5-10(3)20-8-15(13)19/h5-10,20H,1-4H3
InChIKeyWONXZGDXRSXAGZ-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole 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

6-[2-[2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethyl]-5-fluoro-1,2-dihydropyridin-4-yl]-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
CID 135162566
4-fluoro-6-(5-fluoro-2-methylpyrimidin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole
CID 142373688
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
CID 177312133
6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
CID 122667380
5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
CID 171660900
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine
CID 135162251
5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-4-methoxy-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642290
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 118860262
1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
CID 175742678
1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrimidin-5-yl]azetidin-3-ol
CID 118700833
2,4,6-trimethyl-1-propan-2-ylimidazo[4,5-c]pyridine
CID 130438251
[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrimidin-5-yl]-piperazin-1-ylmethanone
CID 118700827

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole (CID 135162333) is 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole is Cc1nc2c(F)cc(C3=CC(C)NC=C3F)cc2n1C(C)C.
What is the InChIKey of 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole?
The InChIKey is WONXZGDXRSXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3/c1-9(2)22-11(4)21-17-14(18)6-12(7-16(17)22)13-5-10(3)20-8-15(13)19/h5-10,20H,1-4H3.
What are the key properties of 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole?
4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole has a molecular weight of 303.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(5-fluoro-2-methyl-1,2-dihydropyridin-4-yl)-2-methyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 135162333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).