N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide

C20H14N4O3 — CID 3584641

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O3/c25-20(14-7-11-16(12-8-14)24(26)27)21-15-9-5-13(6-10-15)19-22-17-3-1-2-4-18(17)23-19/h1-12H,(H,21,25)(H,22,23)
InChIKeyWMSCJGVAPPOKNO-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide (PubChem CID 3584641) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
PubChem CID3584641
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O3/c25-20(14-7-11-16(12-8-14)24(26)27)21-15-9-5-13(6-10-15)19-22-17-3-1-2-4-18(17)23-19/h1-12H,(H,21,25)(H,22,23)
InChIKeyWMSCJGVAPPOKNO-UHFFFAOYSA-N
XLogP4.39
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]benzamide
CID 3113823
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079
2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-nitrobenzoyl)amino]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 161114635
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26264601
2-(4-nitrophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902909
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
2-(4-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 10612945
N'-(1H-benzimidazol-2-yl)-4-nitrobenzohydrazide
CID 66552728
2-nitro-N-[4-[5-[2-[4-[(2-nitrobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 135928290
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 4568237

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide (CID 3584641) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide?
The InChIKey is WMSCJGVAPPOKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-20(14-7-11-16(12-8-14)24(26)27)21-15-9-5-13(6-10-15)19-22-17-3-1-2-4-18(17)23-19/h1-12H,(H,21,25)(H,22,23).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide has a molecular weight of 358.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 3584641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).