N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride

C19H21Cl2FN4O — CID 119854445

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CCCNC1
InChIInChI=1S/C19H19FN4O.2ClH/c20-14-5-3-12(4-6-14)18-23-16-8-7-15(10-17(16)24-18)22-19(25)13-2-1-9-21-11-13;;/h3-8,10,13,21H,1-2,9,11H2,(H,22,25)(H,23,24);2*1H
InChIKeyZGRDUMJPWJQWFF-UHFFFAOYSA-N
MW411.31 g/mol
LogP4.15
Rot. Bonds3

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119854445) has the molecular formula C19H21Cl2FN4O and a molecular weight of 411.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119854445
Molecular FormulaC19H21Cl2FN4O
Molecular Weight411.31 g/mol
Exact Mass410.11
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CCCNC1
InChIInChI=1S/C19H19FN4O.2ClH/c20-14-5-3-12(4-6-14)18-23-16-8-7-15(10-17(16)24-18)22-19(25)13-2-1-9-21-11-13;;/h3-8,10,13,21H,1-2,9,11H2,(H,22,25)(H,23,24);2*1H
InChIKeyZGRDUMJPWJQWFF-UHFFFAOYSA-N
XLogP4.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
CID 142812767
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
(2R,3S)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939467
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55848768
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
(2R,3S)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylmorpholine-3-carboxamide
CID 120939468
N-[4-(1H-imidazol-2-yl)phenyl]piperidine-3-carboxamide
CID 110471952
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride (CID 119854445) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CCCNC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is ZGRDUMJPWJQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O.2ClH/c20-14-5-3-12(4-6-14)18-23-16-8-7-15(10-17(16)24-18)22-19(25)13-2-1-9-21-11-13;;/h3-8,10,13,21H,1-2,9,11H2,(H,22,25)(H,23,24);2*1H.
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 411.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119854445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).