N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine

C15H21ClN4 — CID 42818521

IUPACN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C15H21ClN4/c1-19(2)9-7-17-11-15-18-8-10-20(15)12-13-5-3-4-6-14(13)16/h3-6,8,10,17H,7,9,11-12H2,1-2H3
InChIKeyCMRAUKKFHHRJAM-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.24
Rot. Bonds7

About N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 42818521) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID42818521
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C15H21ClN4/c1-19(2)9-7-17-11-15-18-8-10-20(15)12-13-5-3-4-6-14(13)16/h3-6,8,10,17H,7,9,11-12H2,1-2H3
InChIKeyCMRAUKKFHHRJAM-UHFFFAOYSA-N
XLogP2.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818937
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine
CID 42795776
N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048807
N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107307271
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
2-[[2-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221269
1-[(2-chlorophenyl)methyl]imidazol-2-amine
CID 54593550
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
CID 42818844
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
CID 71931046

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 42818521) is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1nccn1Cc1ccccc1Cl.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CMRAUKKFHHRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-19(2)9-7-17-11-15-18-8-10-20(15)12-13-5-3-4-6-14(13)16/h3-6,8,10,17H,7,9,11-12H2,1-2H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 292.81 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 42818521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).