N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine

C17H14Cl2N4O2 — CID 3432279

IUPACN-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
SMILESCn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N4O2/c1-22-16(11-4-2-5-12(8-11)23(24)25)10-21-17(22)20-9-13-14(18)6-3-7-15(13)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyQLQNGYKSZYCQBF-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.91
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine

N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine (PubChem CID 3432279) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
PubChem CID3432279
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
SMILESCn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2N4O2/c1-22-16(11-4-2-5-12(8-11)23(24)25)10-21-17(22)20-9-13-14(18)6-3-7-15(13)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyQLQNGYKSZYCQBF-UHFFFAOYSA-N
XLogP4.91
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.91
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-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 4214061
1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
CID 3556479
2-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 4308906
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
5-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]-1-methylimidazol-2-amine
CID 5028642
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3913785
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-nitroaniline
CID 78840623
N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
CID 5144981
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-3-nitrobenzamide
CID 3561615

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine (CID 3432279) is N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine is Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine?
The InChIKey is QLQNGYKSZYCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-22-16(11-4-2-5-12(8-11)23(24)25)10-21-17(22)20-9-13-14(18)6-3-7-15(13)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine?
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine has a molecular weight of 377.23 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine is sourced from PubChem (CID 3432279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).