3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide

C16H19FN4O2 — CID 74230128

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide
SMILESO=C(CCc1nc2ccc(F)cc2[nH]1)NC1CCCCNC1=O
InChIInChI=1S/C16H19FN4O2/c17-10-4-5-11-13(9-10)20-14(19-11)6-7-15(22)21-12-3-1-2-8-18-16(12)23/h4-5,9,12H,1-3,6-8H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeyPCBBBXOOBSYYBL-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.42
Rot. Bonds4

About 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide

3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide (PubChem CID 74230128) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide
PubChem CID74230128
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide
SMILESO=C(CCc1nc2ccc(F)cc2[nH]1)NC1CCCCNC1=O
InChIInChI=1S/C16H19FN4O2/c17-10-4-5-11-13(9-10)20-14(19-11)6-7-15(22)21-12-3-1-2-8-18-16(12)23/h4-5,9,12H,1-3,6-8H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeyPCBBBXOOBSYYBL-UHFFFAOYSA-N
XLogP1.42
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
CID 91784528
2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
CID 43704077
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
3-(3-fluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 92568904
2-[(2,4-difluorophenyl)methyl-methylamino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94084776

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide (CID 74230128) is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide is O=C(CCc1nc2ccc(F)cc2[nH]1)NC1CCCCNC1=O.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide?
The InChIKey is PCBBBXOOBSYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-10-4-5-11-13(9-10)20-14(19-11)6-7-15(22)21-12-3-1-2-8-18-16(12)23/h4-5,9,12H,1-3,6-8H2,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide?
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide has a molecular weight of 318.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide is sourced from PubChem (CID 74230128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).