1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine

C14H18ClN3 — CID 55109309

IUPAC1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)C(NCc1cnc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-10(2)14(11-3-5-12(15)6-4-11)17-8-13-7-16-9-18-13/h3-7,9-10,14,17H,8H2,1-2H3,(H,16,18)
InChIKeyDKFBWMYMAIMMTB-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine

1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine (PubChem CID 55109309) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
PubChem CID55109309
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)C(NCc1cnc[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-10(2)14(11-3-5-12(15)6-4-11)17-8-13-7-16-9-18-13/h3-7,9-10,14,17H,8H2,1-2H3,(H,16,18)
InChIKeyDKFBWMYMAIMMTB-UHFFFAOYSA-N
XLogP3.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43687623
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 63001802
2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
CID 79254560
4-[1-(1H-imidazol-5-ylmethylamino)ethyl]benzonitrile
CID 62762285
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine (CID 55109309) is 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine is CC(C)C(NCc1cnc[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is DKFBWMYMAIMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(2)14(11-3-5-12(15)6-4-11)17-8-13-7-16-9-18-13/h3-7,9-10,14,17H,8H2,1-2H3,(H,16,18).
What are the key properties of 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine?
1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 55109309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).