N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

C30H24N4O2 — CID 20694983

IUPACN-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4c4ccccc4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C30H24N4O2/c35-29(21-9-5-2-6-10-21)31-22-13-11-20(12-14-22)28-33-26-16-15-23(17-27(26)34-28)32-30(36)25-18-24(25)19-7-3-1-4-8-19/h1-17,24-25H,18H2,(H,31,35)(H,32,36)(H,33,34)
InChIKeySAFOJGWPZQOZOJ-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.22
Rot. Bonds6

About N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 20694983) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID20694983
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC NameN-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4c4ccccc4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C30H24N4O2/c35-29(21-9-5-2-6-10-21)31-22-13-11-20(12-14-22)28-33-26-16-15-23(17-27(26)34-28)32-30(36)25-18-24(25)19-7-3-1-4-8-19/h1-17,24-25H,18H2,(H,31,35)(H,32,36)(H,33,34)
InChIKeySAFOJGWPZQOZOJ-UHFFFAOYSA-N
XLogP6.22
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.22
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
3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694849
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
2-chloro-4-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694828
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
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-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]adamantane-1-carboxamide
CID 10163454
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide
CID 20740044

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 20694983) is N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4c4ccccc4)cc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is SAFOJGWPZQOZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2/c35-29(21-9-5-2-6-10-21)31-22-13-11-20(12-14-22)28-33-26-16-15-23(17-27(26)34-28)32-30(36)25-18-24(25)19-7-3-1-4-8-19/h1-17,24-25H,18H2,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 472.55 g/mol, XLogP of 6.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 20694983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).