5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine

C17H15ClN4O2 — CID 4298645

IUPAC5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine
SMILESCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15ClN4O2/c1-21-16(13-5-7-14(18)8-6-13)11-20-17(21)19-10-12-3-2-4-15(9-12)22(23)24/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyVWFBFDVTCTZVLF-UHFFFAOYSA-N
MW342.79 g/mol
LogP4.26
Rot. Bonds5

About 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine

5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine (PubChem CID 4298645) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine
PubChem CID4298645
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine
SMILESCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15ClN4O2/c1-21-16(13-5-7-14(18)8-6-13)11-20-17(21)19-10-12-3-2-4-15(9-12)22(23)24/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyVWFBFDVTCTZVLF-UHFFFAOYSA-N
XLogP4.26
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
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

1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine
CID 1096481
1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
CID 3556479
3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
CID 5151576
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 3432279
N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 4214061
2,6-ditert-butyl-4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 5180822
2-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 4308906
N-[(4-bromophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine;oxalic acid
CID 163327459
5-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3590512
N-[(3-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326888
N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
CID 5144981
2-bromo-5-chloro-N-[(3-nitrophenyl)methyl]aniline
CID 81264262

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine (CID 4298645) is 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine is Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine?
The InChIKey is VWFBFDVTCTZVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-21-16(13-5-7-14(18)8-6-13)11-20-17(21)19-10-12-3-2-4-15(9-12)22(23)24/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine?
5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine has a molecular weight of 342.79 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 4298645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).