3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide

C19H18IN3O — CID 95782251

IUPAC3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
SMILESCn1ccnc1C[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C19H18IN3O/c1-23-11-10-21-18(23)13-17(14-6-3-2-4-7-14)22-19(24)15-8-5-9-16(20)12-15/h2-12,17H,13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXZZXSSVMRQYENX-QGZVFWFLSA-N
MW431.28 g/mol
LogP3.74
Rot. Bonds5

About 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide

3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide (PubChem CID 95782251) has the molecular formula C19H18IN3O and a molecular weight of 431.28 g/mol. Its IUPAC name is 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
PubChem CID95782251
Molecular FormulaC19H18IN3O
Molecular Weight431.28 g/mol
Exact Mass431.05
IUPAC Name3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
SMILESCn1ccnc1C[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C19H18IN3O/c1-23-11-10-21-18(23)13-17(14-6-3-2-4-7-14)22-19(24)15-8-5-9-16(20)12-15/h2-12,17H,13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXZZXSSVMRQYENX-QGZVFWFLSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95783170
2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 71987373
N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
CID 97218361
N-[1-(3-iodophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011328
trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
(1R,2S,4S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201288
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-iodobenzamide
CID 56728750

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide?
The IUPAC name of 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide (CID 95782251) is 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide?
The canonical SMILES for 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide is Cn1ccnc1C[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1.
What is the InChIKey of 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide?
The InChIKey is XZZXSSVMRQYENX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18IN3O/c1-23-11-10-21-18(23)13-17(14-6-3-2-4-7-14)22-19(24)15-8-5-9-16(20)12-15/h2-12,17H,13H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide?
3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide has a molecular weight of 431.28 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide is sourced from PubChem (CID 95782251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).