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

C14H21Cl2FN4O — CID 119664829

IUPACN-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl
InChIInChI=1S/C14H19FN4O.2ClH/c1-2-3-4-10(7-16)19-14(20)11-5-9(15)6-12-13(11)18-8-17-12;;/h5-6,8,10H,2-4,7,16H2,1H3,(H,17,18)(H,19,20);2*1H
InChIKeyWGFPHIFREMRFKK-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.79
Rot. Bonds6

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

N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride (PubChem CID 119664829) has the molecular formula C14H21Cl2FN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
PubChem CID119664829
Molecular FormulaC14H21Cl2FN4O
Molecular Weight351.25 g/mol
Exact Mass350.11
IUPAC NameN-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl
InChIInChI=1S/C14H19FN4O.2ClH/c1-2-3-4-10(7-16)19-14(20)11-5-9(15)6-12-13(11)18-8-17-12;;/h5-6,8,10H,2-4,7,16H2,1H3,(H,17,18)(H,19,20);2*1H
InChIKeyWGFPHIFREMRFKK-UHFFFAOYSA-N
XLogP2.79
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
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CID 94800244
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
(2S)-2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]-2-methyloctanoic acid
CID 97338731
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
CID 119665057
N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
CID 80696821
N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119665751
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride (CID 119664829) is N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride is CCCCC(CN)NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The InChIKey is WGFPHIFREMRFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O.2ClH/c1-2-3-4-10(7-16)19-14(20)11-5-9(15)6-12-13(11)18-8-17-12;;/h5-6,8,10H,2-4,7,16H2,1H3,(H,17,18)(H,19,20);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride has a molecular weight of 351.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119664829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).