N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide

C19H18ClN3O — CID 162640598

IUPACN-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-22(18(24)13-23-12-11-21-14-23)19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-12,14,19H,13H2,1H3
InChIKeyABNHYFNEPLHVLN-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.78
Rot. Bonds5

About N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide

N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide (PubChem CID 162640598) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide
PubChem CID162640598
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-22(18(24)13-23-12-11-21-14-23)19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-12,14,19H,13H2,1H3
InChIKeyABNHYFNEPLHVLN-UHFFFAOYSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide (CID 162640598) is N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide is CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide?
The InChIKey is ABNHYFNEPLHVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-22(18(24)13-23-12-11-21-14-23)19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-12,14,19H,13H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide?
N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide has a molecular weight of 339.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-2-imidazol-1-yl-N-methylacetamide is sourced from PubChem (CID 162640598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).