N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide

C31H32N4O2 — CID 10163584

IUPACN-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCCC1
InChIInChI=1S/C31H32N4O2/c36-30(22-10-4-1-2-5-11-22)33-24-16-17-27-28(18-24)35-29(34-27)21-12-14-23(15-13-21)32-31(37)26-19-25(26)20-8-6-3-7-9-20/h3,6-9,12-18,22,25-26H,1-2,4-5,10-11,19H2,(H,32,37)(H,33,36)(H,34,35)
InChIKeyVKPQSAHLCYGCGS-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.88
Rot. Bonds6

About N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide

N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide (PubChem CID 10163584) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
PubChem CID10163584
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC NameN-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCCC1
InChIInChI=1S/C31H32N4O2/c36-30(22-10-4-1-2-5-11-22)33-24-16-17-27-28(18-24)35-29(34-27)21-12-14-23(15-13-21)32-31(37)26-19-25(26)20-8-6-3-7-9-20/h3,6-9,12-18,22,25-26H,1-2,4-5,10-11,19H2,(H,32,37)(H,33,36)(H,34,35)
InChIKeyVKPQSAHLCYGCGS-UHFFFAOYSA-N
XLogP6.88
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766
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
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-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(cycloheptanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 158510746
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
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
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide?
The IUPAC name of N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide (CID 10163584) is N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide is O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1)C1CCCCCC1.
What is the InChIKey of N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide?
The InChIKey is VKPQSAHLCYGCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c36-30(22-10-4-1-2-5-11-22)33-24-16-17-27-28(18-24)35-29(34-27)21-12-14-23(15-13-21)32-31(37)26-19-25(26)20-8-6-3-7-9-20/h3,6-9,12-18,22,25-26H,1-2,4-5,10-11,19H2,(H,32,37)(H,33,36)(H,34,35).
What are the key properties of N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide?
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide has a molecular weight of 492.62 g/mol, XLogP of 6.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide is sourced from PubChem (CID 10163584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).