N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide

C25H22N4O2 — CID 10179766

IUPACN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C25H22N4O2/c1-15(30)26-19-11-12-22-23(13-19)29-24(28-22)17-7-9-18(10-8-17)27-25(31)21-14-20(21)16-5-3-2-4-6-16/h2-13,20-21H,14H2,1H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyNRNBZHOWMGMIPV-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.93
Rot. Bonds5

About N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide

N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 10179766) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID10179766
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C25H22N4O2/c1-15(30)26-19-11-12-22-23(13-19)29-24(28-22)17-7-9-18(10-8-17)27-25(31)21-14-20(21)16-5-3-2-4-6-16/h2-13,20-21H,14H2,1H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyNRNBZHOWMGMIPV-UHFFFAOYSA-N
XLogP4.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694983
N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10228230
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide;N-[2-(4-acetamidophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]adamantane-2-carboxamide;N-[2-[4-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cyclohexanecarboxamide
CID 159759999
2-chloro-4-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694828
3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694849
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-4-chlorobenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;4-chloro-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,5-dichloro-N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 160652559

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide (CID 10179766) is N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide is CC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is NRNBZHOWMGMIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-15(30)26-19-11-12-22-23(13-19)29-24(28-22)17-7-9-18(10-8-17)27-25(31)21-14-20(21)16-5-3-2-4-6-16/h2-13,20-21H,14H2,1H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide?
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 10179766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).