N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide

C21H16N4O4 — CID 17093072

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H16N4O4/c1-29-19-11-10-13(20-22-15-7-3-4-8-16(15)23-20)12-17(19)24-21(26)14-6-2-5-9-18(14)25(27)28/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyJREYTMDYOJUVCZ-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.40
Rot. Bonds5

About N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide (PubChem CID 17093072) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide
PubChem CID17093072
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H16N4O4/c1-29-19-11-10-13(20-22-15-7-3-4-8-16(15)23-20)12-17(19)24-21(26)14-6-2-5-9-18(14)25(27)28/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyJREYTMDYOJUVCZ-UHFFFAOYSA-N
XLogP4.40
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-ethoxy-3-nitrobenzamide
CID 17093048
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-nitrobenzamide
CID 2977840
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 166180424
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
CID 46785895
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide
CID 17093131
2-nitro-N-[4-[5-[2-[4-[(2-nitrobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 135928290
N-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 17092966

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide (CID 17093072) is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide is COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide?
The InChIKey is JREYTMDYOJUVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c1-29-19-11-10-13(20-22-15-7-3-4-8-16(15)23-20)12-17(19)24-21(26)14-6-2-5-9-18(14)25(27)28/h2-12H,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide?
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide has a molecular weight of 388.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide is sourced from PubChem (CID 17093072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).