[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol

C14H19N3O — CID 66149149

IUPAC[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol
SMILESCN(CCCn1cncc1CO)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-16(13-6-3-2-4-7-13)8-5-9-17-12-15-10-14(17)11-18/h2-4,6-7,10,12,18H,5,8-9,11H2,1H3
InChIKeyDPWYNIHTOUEVMR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.90
Rot. Bonds6

About [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol

[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol (PubChem CID 66149149) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol
PubChem CID66149149
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol
SMILESCN(CCCn1cncc1CO)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-16(13-6-3-2-4-7-13)8-5-9-17-12-15-10-14(17)11-18/h2-4,6-7,10,12,18H,5,8-9,11H2,1H3
InChIKeyDPWYNIHTOUEVMR-UHFFFAOYSA-N
XLogP1.90
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
CID 22988642
N-benzyl-N-methyl-3-[5-(methylaminomethyl)imidazol-1-yl]propan-1-amine
CID 66147325
[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol
CID 114526143
[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol
CID 115522977
N,4-dimethyl-1-[3-(N-methylanilino)propyl]imidazol-2-amine
CID 106556643
1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
CID 19438633
N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline
CID 166206214
N'-methyl-N'-phenyl-N-(pyrimidin-5-ylmethyl)propane-1,3-diamine
CID 62758385
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486

Frequently Asked Questions

What is the IUPAC name of [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol (CID 66149149) is [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol is CN(CCCn1cncc1CO)c1ccccc1.
What is the InChIKey of [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol?
The InChIKey is DPWYNIHTOUEVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16(13-6-3-2-4-7-13)8-5-9-17-12-15-10-14(17)11-18/h2-4,6-7,10,12,18H,5,8-9,11H2,1H3.
What are the key properties of [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol?
[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66149149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).