4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol

C18H18ClN3O2 — CID 3566909

IUPAC4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2ncc(-c3cccc(Cl)c3)n2C)ccc1O
InChIInChI=1S/C18H18ClN3O2/c1-22-15(13-4-3-5-14(19)9-13)11-21-18(22)20-10-12-6-7-16(23)17(8-12)24-2/h3-9,11,23H,10H2,1-2H3,(H,20,21)
InChIKeySWVHDVSCKIQTOP-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.07
Rot. Bonds5

About 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol

4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol (PubChem CID 3566909) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
PubChem CID3566909
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2ncc(-c3cccc(Cl)c3)n2C)ccc1O
InChIInChI=1S/C18H18ClN3O2/c1-22-15(13-4-3-5-14(19)9-13)11-21-18(22)20-10-12-6-7-16(23)17(8-12)24-2/h3-9,11,23H,10H2,1-2H3,(H,20,21)
InChIKeySWVHDVSCKIQTOP-UHFFFAOYSA-N
XLogP4.07
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[5-(3-bromophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-ethoxyphenol
CID 4264769
5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 3356531
4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-ethoxyphenol;oxalic acid
CID 163327411
5-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3590512
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
2-bromo-4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-6-methoxyphenol
CID 4212879
3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
CID 5151576
2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3635678
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3913785
N-[(3-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326888
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
CID 4268293
5-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126468009

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol (CID 3566909) is 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol is COc1cc(CNc2ncc(-c3cccc(Cl)c3)n2C)ccc1O.
What is the InChIKey of 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol?
The InChIKey is SWVHDVSCKIQTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-22-15(13-4-3-5-14(19)9-13)11-21-18(22)20-10-12-6-7-16(23)17(8-12)24-2/h3-9,11,23H,10H2,1-2H3,(H,20,21).
What are the key properties of 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol?
4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol has a molecular weight of 343.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 3566909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).