N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide

C15H21FN4O — CID 119597419

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C15H21FN4O/c1-9(2)6-15(3,7-17)20-14(21)11-4-10(16)5-12-13(11)19-8-18-12/h4-5,8-9H,6-7,17H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyATQZJLGUVWOSNQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.20
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 119597419) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID119597419
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C15H21FN4O/c1-9(2)6-15(3,7-17)20-14(21)11-4-10(16)5-12-13(11)19-8-18-12/h4-5,8-9H,6-7,17H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyATQZJLGUVWOSNQ-UHFFFAOYSA-N
XLogP2.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide (CID 119597419) is N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide is CC(C)CC(C)(CN)NC(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is ATQZJLGUVWOSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-9(2)6-15(3,7-17)20-14(21)11-4-10(16)5-12-13(11)19-8-18-12/h4-5,8-9H,6-7,17H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 119597419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).