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

C14H21Cl2FN4O — CID 119585412

IUPACN-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl
InChIInChI=1S/C14H19FN4O.2ClH/c1-8(2)3-10(6-16)19-14(20)11-4-9(15)5-12-13(11)18-7-17-12;;/h4-5,7-8,10H,3,6,16H2,1-2H3,(H,17,18)(H,19,20);2*1H
InChIKeyXDOGWZOGFKCQGE-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.65
Rot. Bonds5

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

N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride (PubChem CID 119585412) has the molecular formula C14H21Cl2FN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
PubChem CID119585412
Molecular FormulaC14H21Cl2FN4O
Molecular Weight351.25 g/mol
Exact Mass350.11
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl
InChIInChI=1S/C14H19FN4O.2ClH/c1-8(2)3-10(6-16)19-14(20)11-4-9(15)5-12-13(11)18-7-17-12;;/h4-5,7-8,10H,3,6,16H2,1-2H3,(H,17,18)(H,19,20);2*1H
InChIKeyXDOGWZOGFKCQGE-UHFFFAOYSA-N
XLogP2.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
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6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
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6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
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N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
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N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
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N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119564817
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride (CID 119585412) is N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride is CC(C)CC(CN)NC(=O)c1cc(F)cc2[nH]cnc12.Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The InChIKey is XDOGWZOGFKCQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O.2ClH/c1-8(2)3-10(6-16)19-14(20)11-4-9(15)5-12-13(11)18-7-17-12;;/h4-5,7-8,10H,3,6,16H2,1-2H3,(H,17,18)(H,19,20);2*1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride has a molecular weight of 351.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119585412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).