N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide

C24H23FN4O2 — CID 167477236

IUPACN-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1F.O=CNc1cccc2[nH]cnc12
InChIInChI=1S/C16H16FNO.C8H7N3O/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;12-5-11-7-3-1-2-6-8(7)10-4-9-6/h2-10,12H,11H2,1H3,(H,18,19);1-5H,(H,9,10)(H,11,12)
InChIKeyCZYGHTPJIGHIOJ-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.32
Rot. Bonds6

About N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide

N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 167477236) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide
PubChem CID167477236
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1F.O=CNc1cccc2[nH]cnc12
InChIInChI=1S/C16H16FNO.C8H7N3O/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;12-5-11-7-3-1-2-6-8(7)10-4-9-6/h2-10,12H,11H2,1H3,(H,18,19);1-5H,(H,9,10)(H,11,12)
InChIKeyCZYGHTPJIGHIOJ-UHFFFAOYSA-N
XLogP4.32
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-4-yl)formamide
CID 15710577
N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
CID 91470485
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide
CID 144901091
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide
CID 144900997
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
CID 97228107
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide (CID 167477236) is N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide is CC(Cc1ccccc1)NC(=O)c1ccccc1F.O=CNc1cccc2[nH]cnc12.
What is the InChIKey of N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is CZYGHTPJIGHIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO.C8H7N3O/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;12-5-11-7-3-1-2-6-8(7)10-4-9-6/h2-10,12H,11H2,1H3,(H,18,19);1-5H,(H,9,10)(H,11,12).
What are the key properties of N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide?
N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 418.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 167477236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).