1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine

C16H17ClN4O — CID 166237215

IUPAC1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNC(c2ccc(Cl)cc2)c2nccn2C)o1
InChIInChI=1S/C16H17ClN4O/c1-11-19-9-14(22-11)10-20-15(16-18-7-8-21(16)2)12-3-5-13(17)6-4-12/h3-9,15,20H,10H2,1-2H3
InChIKeyODSQJPLBFWVHOE-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine

1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine (PubChem CID 166237215) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine
PubChem CID166237215
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNC(c2ccc(Cl)cc2)c2nccn2C)o1
InChIInChI=1S/C16H17ClN4O/c1-11-19-9-14(22-11)10-20-15(16-18-7-8-21(16)2)12-3-5-13(17)6-4-12/h3-9,15,20H,10H2,1-2H3
InChIKeyODSQJPLBFWVHOE-UHFFFAOYSA-N
XLogP3.25
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
N-[(2,4-difluorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 47030534
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 166200018
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 94497913
1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea
CID 8563284

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine (CID 166237215) is 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine is Cc1ncc(CNC(c2ccc(Cl)cc2)c2nccn2C)o1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine?
The InChIKey is ODSQJPLBFWVHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-11-19-9-14(22-11)10-20-15(16-18-7-8-21(16)2)12-3-5-13(17)6-4-12/h3-9,15,20H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine?
1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine has a molecular weight of 316.79 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 166237215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).