5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

C14H9ClN4O3 — CID 3100348

IUPAC5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2[nH]1
InChIInChI=1S/C14H9ClN4O3/c15-11-3-2-10(19(21)22)5-8(11)7-16-9-1-4-12-13(6-9)18-14(20)17-12/h1-7H,(H2,17,18,20)/b16-7+
InChIKeyGFPBBQQYKYQNFA-FRKPEAEDSA-N
MW316.70 g/mol
LogP3.17
Rot. Bonds3

About 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 3100348) has the molecular formula C14H9ClN4O3 and a molecular weight of 316.70 g/mol. Its IUPAC name is 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID3100348
Molecular FormulaC14H9ClN4O3
Molecular Weight316.70 g/mol
Exact Mass316.04
IUPAC Name5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2[nH]1
InChIInChI=1S/C14H9ClN4O3/c15-11-3-2-10(19(21)22)5-8(11)7-16-9-1-4-12-13(6-9)18-14(20)17-12/h1-7H,(H2,17,18,20)/b16-7+
InChIKeyGFPBBQQYKYQNFA-FRKPEAEDSA-N
XLogP3.17
TPSA104.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3291118
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3258918
4-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 693503
4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
CID 126104463
3-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 794489
2-[(4-bromo-3-chlorophenyl)iminomethyl]-4-nitrophenolate
CID 2185227
2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
CID 3760612
6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
2-(1H-indazol-5-yliminomethyl)-4-nitrophenol
CID 3110766

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 3100348) is 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2[nH]1.
What is the InChIKey of 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GFPBBQQYKYQNFA-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H9ClN4O3/c15-11-3-2-10(19(21)22)5-8(11)7-16-9-1-4-12-13(6-9)18-14(20)17-12/h1-7H,(H2,17,18,20)/b16-7+.
What are the key properties of 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 316.70 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 3100348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).