N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide

C15H18ClN3O — CID 46990687

IUPACN-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1Cl)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C15H18ClN3O/c1-11(2)19(9-12-5-3-4-6-14(12)16)15(20)7-13-8-17-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18)
InChIKeyGNYFGDMSWAUJGV-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.04
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide

N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide (PubChem CID 46990687) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide
PubChem CID46990687
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1Cl)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C15H18ClN3O/c1-11(2)19(9-12-5-3-4-6-14(12)16)15(20)7-13-8-17-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18)
InChIKeyGNYFGDMSWAUJGV-UHFFFAOYSA-N
XLogP3.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2-chlorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825695
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144451
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 46989159
(2S)-N-benzyl-N-[(2,3-dichlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethylamino]-3-methylbutanamide
CID 139670926
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676603
5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole
CID 24738219
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-methylpropanamide
CID 132654084
(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 100676452
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697908
3-[[2-(2-chlorophenyl)acetyl]-ethylamino]butanoic acid
CID 55123907
1-[3-(2-chlorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-(1H-imidazol-5-yl)ethanone
CID 154783014

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide (CID 46990687) is N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1Cl)C(=O)Cc1cnc[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide?
The InChIKey is GNYFGDMSWAUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(2)19(9-12-5-3-4-6-14(12)16)15(20)7-13-8-17-10-18-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide?
N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide has a molecular weight of 291.78 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 46990687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).