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

C17H15ClN4O2 — CID 4214061

IUPACN-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
SMILESCn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccccc1Cl
InChIInChI=1S/C17H15ClN4O2/c1-21-16(12-6-4-7-14(9-12)22(23)24)11-20-17(21)19-10-13-5-2-3-8-15(13)18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyHNBCNDZDWFJTEA-UHFFFAOYSA-N
MW342.79 g/mol
LogP4.26
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine (PubChem CID 4214061) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
PubChem CID4214061
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
SMILESCn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccccc1Cl
InChIInChI=1S/C17H15ClN4O2/c1-21-16(12-6-4-7-14(9-12)22(23)24)11-20-17(21)19-10-13-5-2-3-8-15(13)18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyHNBCNDZDWFJTEA-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

N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 3432279
2-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 4308906
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3913785
1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
CID 3556479
1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine
CID 1096481
5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine
CID 4298645
2,6-ditert-butyl-4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 5180822
N-[(4-bromophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine;oxalic acid
CID 163327459
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326908
2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3533703
2-chloro-N-[(2-chlorophenyl)methyl]-5-nitroaniline
CID 43718808
5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine
CID 45147023

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine (CID 4214061) is N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine is Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine?
The InChIKey is HNBCNDZDWFJTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-21-16(12-6-4-7-14(9-12)22(23)24)11-20-17(21)19-10-13-5-2-3-8-15(13)18/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine?
N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)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 N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine is sourced from PubChem (CID 4214061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).