1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole

C17H16ClFN2 — CID 103050144

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H16ClFN2/c1-2-5-17-20-15-6-3-4-7-16(15)21(17)11-12-10-13(18)8-9-14(12)19/h3-4,6-10H,2,5,11H2,1H3
InChIKeyZDFNHBVDLFYJGK-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.83
Rot. Bonds4

About 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole

1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole (PubChem CID 103050144) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
PubChem CID103050144
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H16ClFN2/c1-2-5-17-20-15-6-3-4-7-16(15)21(17)11-12-10-13(18)8-9-14(12)19/h3-4,6-10H,2,5,11H2,1H3
InChIKeyZDFNHBVDLFYJGK-UHFFFAOYSA-N
XLogP4.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803
5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
CID 112683284
1-[(4-bromo-2-fluorophenyl)methyl]-2-butylbenzimidazole
CID 19806376
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole (CID 103050144) is 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole?
The InChIKey is ZDFNHBVDLFYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-2-5-17-20-15-6-3-4-7-16(15)21(17)11-12-10-13(18)8-9-14(12)19/h3-4,6-10H,2,5,11H2,1H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole?
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole has a molecular weight of 302.78 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole is sourced from PubChem (CID 103050144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).