6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide

C14H15FN4O2 — CID 138036120

IUPAC6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cc(F)cc3[nH]cnc23)CCN1
InChIInChI=1S/C14H15FN4O2/c15-8-5-10(13-11(6-8)17-7-18-13)14(21)19-9-1-2-12(20)16-4-3-9/h5-7,9H,1-4H2,(H,16,20)(H,17,18)(H,19,21)
InChIKeyRSOWEOXNFJQRQN-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.10
Rot. Bonds2

About 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide

6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 138036120) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID138036120
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cc(F)cc3[nH]cnc23)CCN1
InChIInChI=1S/C14H15FN4O2/c15-8-5-10(13-11(6-8)17-7-18-13)14(21)19-9-1-2-12(20)16-4-3-9/h5-7,9H,1-4H2,(H,16,20)(H,17,18)(H,19,21)
InChIKeyRSOWEOXNFJQRQN-UHFFFAOYSA-N
XLogP1.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119385720
6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120576857
6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide
CID 97076311
N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119600509
6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 166380480
1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
CID 138055821
6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide
CID 71892495
N-cyclopropyl-1H-benzimidazole-4-carboxamide
CID 110700811
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244
(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 119372809
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119564817

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide (CID 138036120) is 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide is O=C1CCC(NC(=O)c2cc(F)cc3[nH]cnc23)CCN1.
What is the InChIKey of 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is RSOWEOXNFJQRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-8-5-10(13-11(6-8)17-7-18-13)14(21)19-9-1-2-12(20)16-4-3-9/h5-7,9H,1-4H2,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide?
6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 138036120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).