3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide

C18H18N4O — CID 97306827

IUPAC3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CN[C@@H](c2ccccc2)c2ncc[nH]2)c1
InChIInChI=1S/C18H18N4O/c19-17(23)15-8-4-5-13(11-15)12-22-16(18-20-9-10-21-18)14-6-2-1-3-7-14/h1-11,16,22H,12H2,(H2,19,23)(H,20,21)/t16-/m0/s1
InChIKeyYHUIZQYMTYFSDH-INIZCTEOSA-N
MW306.37 g/mol
LogP2.39
Rot. Bonds6

About 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide

3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide (PubChem CID 97306827) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide
PubChem CID97306827
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CN[C@@H](c2ccccc2)c2ncc[nH]2)c1
InChIInChI=1S/C18H18N4O/c19-17(23)15-8-4-5-13(11-15)12-22-16(18-20-9-10-21-18)14-6-2-1-3-7-14/h1-11,16,22H,12H2,(H2,19,23)(H,20,21)/t16-/m0/s1
InChIKeyYHUIZQYMTYFSDH-INIZCTEOSA-N
XLogP2.39
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[(2S)-2-(benzenesulfonamido)-2-(1H-imidazol-2-yl)ethyl]-N'-hydroxybenzenecarboximidamide
CID 168874708
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
CID 126809172
4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 86804128
N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
CID 62696371
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421
3-[(carbamoylamino)methyl]benzamide
CID 166184789
2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine
CID 97306837
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 166234216

Frequently Asked Questions

What is the IUPAC name of 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide (CID 97306827) is 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide is NC(=O)c1cccc(CN[C@@H](c2ccccc2)c2ncc[nH]2)c1.
What is the InChIKey of 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide?
The InChIKey is YHUIZQYMTYFSDH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N4O/c19-17(23)15-8-4-5-13(11-15)12-22-16(18-20-9-10-21-18)14-6-2-1-3-7-14/h1-11,16,22H,12H2,(H2,19,23)(H,20,21)/t16-/m0/s1.
What are the key properties of 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide?
3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 97306827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).