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

C14H18ClN3 — CID 107446934

IUPACN-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-8-16-10-18(11)13-7-5-4-6-12(13)15/h4-8,10,17H,9H2,1-3H3
InChIKeyQSTWXHKDEBFICA-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.41
Rot. Bonds3

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

N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107446934) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107446934
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-8-16-10-18(11)13-7-5-4-6-12(13)15/h4-8,10,17H,9H2,1-3H3
InChIKeyQSTWXHKDEBFICA-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-1H-imidazole
CID 142859
(2,6-Dichloro-phenyl)-(1H-imidazol-2-yl)-amine
CID 10489502
1-(3-Chlorophenyl)-1H-imidazole
CID 99349
N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730361
3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24771985
3-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948458
1-(2-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10613497
((6-Chloroimidazo(1,2-a)pyridin-2-yl)methyl)(methyl)amine
CID 4626209
1-(4-chlorophenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 3585502
N-(4-chlorophenyl)-N'-[3-(1H-imidazol-1-yl)propyl]urea
CID 2804810
1-(3-Chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 2932800
4-{[2-(1H-Imidazol-4-yl)ethyl]amino}-2-chloropyridine
CID 10443561

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107446934) is N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1-c1ccccc1Cl.
What is the InChIKey of N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QSTWXHKDEBFICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-8-16-10-18(11)13-7-5-4-6-12(13)15/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).