N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide

C20H21N3O — CID 110444641

IUPACN-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
SMILESCn1ccnc1CNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-23-13-12-21-19(23)15-22-20(24)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14-15H2,1H3,(H,22,24)
InChIKeyRABCJAGYUOHUMJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.26
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide

N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide (PubChem CID 110444641) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
PubChem CID110444641
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
SMILESCn1ccnc1CNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-23-13-12-21-19(23)15-22-20(24)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14-15H2,1H3,(H,22,24)
InChIKeyRABCJAGYUOHUMJ-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 45228340
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 42596150
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63295676
N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 43408958
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 63293461

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide (CID 110444641) is N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide is Cn1ccnc1CNC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide?
The InChIKey is RABCJAGYUOHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23-13-12-21-19(23)15-22-20(24)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18H,14-15H2,1H3,(H,22,24).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide?
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 110444641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).