1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine

C16H15ClN4O2 — CID 10090360

IUPAC1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cn1c(-c2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H15ClN4O2/c1-19(2)10-20-15-8-7-13(21(22)23)9-14(15)18-16(20)11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3
InChIKeyGVDPKHPVKIWEPD-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine

1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine (PubChem CID 10090360) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine
PubChem CID10090360
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cn1c(-c2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H15ClN4O2/c1-19(2)10-20-15-8-7-13(21(22)23)9-14(15)18-16(20)11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3
InChIKeyGVDPKHPVKIWEPD-UHFFFAOYSA-N
XLogP3.78
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
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'}

Analyze 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine 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

1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
2-(4-chlorophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 1476973
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
3-(5-nitro-2-phenylbenzimidazol-1-yl)propanenitrile;3-(6-nitro-2-phenylbenzimidazol-1-yl)propanenitrile
CID 158928546
1,3-bis[(dimethylamino)methyl]-5-nitrobenzimidazole-2-thione
CID 3027348
1-cyclopropyl-5-nitro-2-phenylbenzimidazole
CID 46942056
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
2-methyl-1-(4-methylphenyl)-5-nitrobenzimidazole
CID 622425
2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol
CID 82149303
2-(4-chlorophenyl)-6-nitro-1-[[4-(trifluoromethyl)phenyl]methoxy]benzimidazole
CID 2764990
2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetic acid
CID 82144952

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine (CID 10090360) is 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine is CN(C)Cn1c(-c2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine?
The InChIKey is GVDPKHPVKIWEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-19(2)10-20-15-8-7-13(21(22)23)9-14(15)18-16(20)11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine?
1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine has a molecular weight of 330.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-5-nitrobenzimidazol-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10090360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).