1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole

C17H16F2N2 — CID 115571780

IUPAC1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2/c1-2-5-17-20-15-6-3-4-7-16(15)21(17)11-12-8-9-13(18)14(19)10-12/h3-4,6-10H,2,5,11H2,1H3
InChIKeyDVPUQBKIGVELLU-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.32
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole

1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole (PubChem CID 115571780) has the molecular formula C17H16F2N2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
PubChem CID115571780
Molecular FormulaC17H16F2N2
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2/c1-2-5-17-20-15-6-3-4-7-16(15)21(17)11-12-8-9-13(18)14(19)10-12/h3-4,6-10H,2,5,11H2,1H3
InChIKeyDVPUQBKIGVELLU-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole 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

1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39148040
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
[4-[(2-propylbenzimidazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 115971072
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-[6-[(2-propylbenzimidazol-1-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethanol
CID 67211351

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole (CID 115571780) is 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole?
The InChIKey is DVPUQBKIGVELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c1-2-5-17-20-15-6-3-4-7-16(15)21(17)11-12-8-9-13(18)14(19)10-12/h3-4,6-10H,2,5,11H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole?
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole has a molecular weight of 286.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole is sourced from PubChem (CID 115571780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).