6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride

C13H17Cl2FN4O — CID 119385720

IUPAC6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C13H15FN4O.2ClH/c14-8-5-10(12-11(6-8)16-7-17-12)13(19)18-9-1-3-15-4-2-9;;/h5-7,9,15H,1-4H2,(H,16,17)(H,18,19);2*1H
InChIKeyMXCDCDROQNFKEU-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.03
Rot. Bonds2

About 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride

6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride (PubChem CID 119385720) has the molecular formula C13H17Cl2FN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride
PubChem CID119385720
Molecular FormulaC13H17Cl2FN4O
Molecular Weight335.21 g/mol
Exact Mass334.08
IUPAC Name6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C13H15FN4O.2ClH/c14-8-5-10(12-11(6-8)16-7-17-12)13(19)18-9-1-3-15-4-2-9;;/h5-7,9,15H,1-4H2,(H,16,17)(H,18,19);2*1H
InChIKeyMXCDCDROQNFKEU-UHFFFAOYSA-N
XLogP2.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride 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-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 138036120
6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120576857
N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119600509
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 166380480
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
N-cyclopropyl-1H-benzimidazole-4-carboxamide
CID 110700811
6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 120890655
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide
CID 71892495
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride (CID 119385720) is 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCNCC1)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride?
The InChIKey is MXCDCDROQNFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O.2ClH/c14-8-5-10(12-11(6-8)16-7-17-12)13(19)18-9-1-3-15-4-2-9;;/h5-7,9,15H,1-4H2,(H,16,17)(H,18,19);2*1H.
What are the key properties of 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride?
6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride has a molecular weight of 335.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119385720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).