N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

C15H20ClN3 — CID 66147520

IUPACN-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3/c1-12(2)7-17-8-15-9-18-11-19(15)10-13-3-5-14(16)6-4-13/h3-6,9,11-12,17H,7-8,10H2,1-2H3
InChIKeyNMVIIMMYCZTQSR-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.33
Rot. Bonds6

About N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66147520) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66147520
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3/c1-12(2)7-17-8-15-9-18-11-19(15)10-13-3-5-14(16)6-4-13/h3-6,9,11-12,17H,7-8,10H2,1-2H3
InChIKeyNMVIIMMYCZTQSR-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66147318
N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106302295
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79238144
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
CID 106009311
N-[(2S,3S)-1-[(4-chlorophenyl)methylamino]-3-methylpentan-2-yl]-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetamide
CID 57493950

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66147520) is N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NMVIIMMYCZTQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-12(2)7-17-8-15-9-18-11-19(15)10-13-3-5-14(16)6-4-13/h3-6,9,11-12,17H,7-8,10H2,1-2H3.
What are the key properties of N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66147520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).