N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide

C26H20N4O — CID 156631123

IUPACN-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cccc(Nc2nc3ccccc3[nH]2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H20N4O/c31-25(20-15-13-19(14-16-20)18-7-2-1-3-8-18)27-21-9-6-10-22(17-21)28-26-29-23-11-4-5-12-24(23)30-26/h1-17H,(H,27,31)(H2,28,29,30)
InChIKeyQCEYEVSUFMOMGL-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.23
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide

N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide (PubChem CID 156631123) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide
PubChem CID156631123
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC NameN-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cccc(Nc2nc3ccccc3[nH]2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H20N4O/c31-25(20-15-13-19(14-16-20)18-7-2-1-3-8-18)27-21-9-6-10-22(17-21)28-26-29-23-11-4-5-12-24(23)30-26/h1-17H,(H,27,31)(H2,28,29,30)
InChIKeyQCEYEVSUFMOMGL-UHFFFAOYSA-N
XLogP6.23
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]benzamide
CID 156631177
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 5079290
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 30476399
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide (CID 156631123) is N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide is O=C(Nc1cccc(Nc2nc3ccccc3[nH]2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide?
The InChIKey is QCEYEVSUFMOMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c31-25(20-15-13-19(14-16-20)18-7-2-1-3-8-18)27-21-9-6-10-22(17-21)28-26-29-23-11-4-5-12-24(23)30-26/h1-17H,(H,27,31)(H2,28,29,30).
What are the key properties of N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide?
N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 6.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 156631123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).