5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine

C19H20ClN3O2 — CID 4025075

IUPAC5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(OC)c(CNc2ncc(-c3ccc(Cl)cc3)n2C)c1
InChIInChI=1S/C19H20ClN3O2/c1-23-17(13-4-6-15(20)7-5-13)12-22-19(23)21-11-14-10-16(24-2)8-9-18(14)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyUCUFRCLRWQRLJY-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.37
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine

5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 4025075) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
PubChem CID4025075
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(OC)c(CNc2ncc(-c3ccc(Cl)cc3)n2C)c1
InChIInChI=1S/C19H20ClN3O2/c1-23-17(13-4-6-15(20)7-5-13)12-22-19(23)21-11-14-10-16(24-2)8-9-18(14)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyUCUFRCLRWQRLJY-UHFFFAOYSA-N
XLogP4.37
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
2-(4-chlorophenyl)-1-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
CID 16682544
4-Chloro-2-[[(1-methyl-5-phenyl-2-imidazolyl)amino]methyl]phenol
CID 1096453
(2,5-Dimethoxy-benzyl)-(1-ethyl-1H-benzoimidazol-2-yl)-amine
CID 645176
5-(4-bromophenyl)-N-(3-methoxybenzyl)-1-methyl-1H-imidazol-2-amine
CID 3929868
2-(4-Chlorophenyl)-4-(2-phenoxyphenyl)-5-(4-pyridinyl)-1H-imidazole
CID 10093802
4-[5-(2-Butoxy-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10363819
1-(2-{3-[4-(4-Chloro-phenyl)-imidazol-1-yl]-propoxy}-6-methyl-phenyl)-3-pentyl-urea
CID 10366727
(5-(3,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11524437
(5-(2,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11611325
(5-(4-Chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11653749
(5-(2,4-Dichlorophenyl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11654528

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine (CID 4025075) is 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine is COc1ccc(OC)c(CNc2ncc(-c3ccc(Cl)cc3)n2C)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is UCUFRCLRWQRLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-23-17(13-4-6-15(20)7-5-13)12-22-19(23)21-11-14-10-16(24-2)8-9-18(14)25-3/h4-10,12H,11H2,1-3H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 357.84 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 4025075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).