(Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine

C15H12N4O2 — CID 5414282

IUPAC(Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine
SMILESCc1nc2ccccc2n1/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O2/c1-11-17-14-4-2-3-5-15(14)18(11)16-10-12-6-8-13(9-7-12)19(20)21/h2-10H,1H3/b16-10-
InChIKeyCTBRSUHYXDFBAC-YBEGLDIGSA-N
MW280.29 g/mol
LogP3.14
Rot. Bonds3

About (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine

(Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine (PubChem CID 5414282) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine
PubChem CID5414282
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name(Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine
SMILESCc1nc2ccccc2n1/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O2/c1-11-17-14-4-2-3-5-15(14)18(11)16-10-12-6-8-13(9-7-12)19(20)21/h2-10H,1H3/b16-10-
InChIKeyCTBRSUHYXDFBAC-YBEGLDIGSA-N
XLogP3.14
TPSA73.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[(Z)-(4-nitrophenyl)methylideneamino]imidazo[1,2-a]benzimidazole-1-carbonitrile
CID 5414988
N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine
CID 749135
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 5424130
2-[(4-methylanilino)methyl]-3-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 11729350
4-[(4-nitrophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CID 929846
3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 6304404
3-(2-fluorophenyl)-4-[(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 932928
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
[1-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol
CID 5422812
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
1-(4-nitrophenyl)-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methanimine
CID 3731682
(E)-N-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]-1-(4-nitrophenyl)methanimine
CID 89181412

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine?
The IUPAC name of (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine (CID 5414282) is (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine?
The canonical SMILES for (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine is Cc1nc2ccccc2n1/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine?
The InChIKey is CTBRSUHYXDFBAC-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-11-17-14-4-2-3-5-15(14)18(11)16-10-12-6-8-13(9-7-12)19(20)21/h2-10H,1H3/b16-10-.
What are the key properties of (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine?
(Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine has a molecular weight of 280.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 5414282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).