6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride

C14H19Cl2FN4O — CID 120576857

IUPAC6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl
InChIInChI=1S/C14H17FN4O.2ClH/c1-8-11(3-2-4-16-8)19-14(20)10-5-9(15)6-12-13(10)18-7-17-12;;/h5-8,11,16H,2-4H2,1H3,(H,17,18)(H,19,20);2*1H
InChIKeyMPFKJGJLPWLMHV-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.42
Rot. Bonds2

About 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride

6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride (PubChem CID 120576857) has the molecular formula C14H19Cl2FN4O and a molecular weight of 349.24 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
PubChem CID120576857
Molecular FormulaC14H19Cl2FN4O
Molecular Weight349.24 g/mol
Exact Mass348.09
IUPAC Name6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl
InChIInChI=1S/C14H17FN4O.2ClH/c1-8-11(3-2-4-16-8)19-14(20)10-5-9(15)6-12-13(10)18-7-17-12;;/h5-8,11,16H,2-4H2,1H3,(H,17,18)(H,19,20);2*1H
InChIKeyMPFKJGJLPWLMHV-UHFFFAOYSA-N
XLogP2.42
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide
CID 97076311
6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119385720
N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119600509
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 138036120
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 120577421
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide
CID 71892495
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride (CID 120576857) is 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride is CC1NCCCC1NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl.
What is the InChIKey of 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride?
The InChIKey is MPFKJGJLPWLMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O.2ClH/c1-8-11(3-2-4-16-8)19-14(20)10-5-9(15)6-12-13(10)18-7-17-12;;/h5-8,11,16H,2-4H2,1H3,(H,17,18)(H,19,20);2*1H.
What are the key properties of 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride?
6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride has a molecular weight of 349.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120576857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).