(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide

C22H24N4O — CID 96509471

IUPAC(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCN1Cc1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(21-10-12-26(21)16-19-4-2-1-3-5-19)24-14-18-6-8-20(9-7-18)15-25-13-11-23-17-25/h1-9,11,13,17,21H,10,12,14-16H2,(H,24,27)/t21-/m1/s1
InChIKeyRWAFZMZDUQOFTI-OAQYLSRUSA-N
MW360.46 g/mol
LogP2.82
Rot. Bonds7

About (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide

(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide (PubChem CID 96509471) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
PubChem CID96509471
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCN1Cc1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(21-10-12-26(21)16-19-4-2-1-3-5-19)24-14-18-6-8-20(9-7-18)15-25-13-11-23-17-25/h1-9,11,13,17,21H,10,12,14-16H2,(H,24,27)/t21-/m1/s1
InChIKeyRWAFZMZDUQOFTI-OAQYLSRUSA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
(4S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94036187
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034995
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
(7S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97325838
3-amino-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838606
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 37426155
3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37426831
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide (CID 96509471) is (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide is O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide?
The InChIKey is RWAFZMZDUQOFTI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-10-12-26(21)16-19-4-2-1-3-5-19)24-14-18-6-8-20(9-7-18)15-25-13-11-23-17-25/h1-9,11,13,17,21H,10,12,14-16H2,(H,24,27)/t21-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide?
(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 96509471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).