1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride

C19H16ClFN4 — CID 10316147

IUPAC1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2nc3ccccc3n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FN4.ClH/c20-14-5-7-16(8-6-14)24-18-4-2-1-3-17(18)22-19(24)13-23-11-9-15(21)10-12-23;/h1-12,21H,13H2;1H
InChIKeyOQLKNESERKFJAI-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.92
Rot. Bonds3

About 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride

1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride (PubChem CID 10316147) has the molecular formula C19H16ClFN4 and a molecular weight of 354.82 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride
PubChem CID10316147
Molecular FormulaC19H16ClFN4
Molecular Weight354.82 g/mol
Exact Mass354.10
IUPAC Name1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride
SMILESCl.[H]N=c1ccn(Cc2nc3ccccc3n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FN4.ClH/c20-14-5-7-16(8-6-14)24-18-4-2-1-3-17(18)22-19(24)13-23-11-9-15(21)10-12-23;/h1-12,21H,13H2;1H
InChIKeyOQLKNESERKFJAI-UHFFFAOYSA-N
XLogP3.92
TPSA46.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
CID 53407605
N,1-bis(4-fluorophenyl)benzimidazol-2-amine
CID 71472918
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
1-(3,5-difluorophenyl)-2-ethylbenzimidazole
CID 155179234
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 124824680
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124786185
(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124916392
4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid
CID 154631465
N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124808449

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride?
The IUPAC name of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride (CID 10316147) is 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride?
The canonical SMILES for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride is Cl.[H]N=c1ccn(Cc2nc3ccccc3n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride?
The InChIKey is OQLKNESERKFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4.ClH/c20-14-5-7-16(8-6-14)24-18-4-2-1-3-17(18)22-19(24)13-23-11-9-15(21)10-12-23;/h1-12,21H,13H2;1H.
What are the key properties of 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride?
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride has a molecular weight of 354.82 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]pyridin-4-imine;hydrochloride is sourced from PubChem (CID 10316147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).