N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide

C18H17N3O2 — CID 77090081

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H17N3O2/c22-12-14-6-4-13(5-7-14)11-21-18(23)16-3-1-2-15(10-16)17-19-8-9-20-17/h1-10,22H,11-12H2,(H,19,20)(H,21,23)
InChIKeyKODJZEONRBGDHE-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.50
Rot. Bonds5

About N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide

N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide (PubChem CID 77090081) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide
PubChem CID77090081
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H17N3O2/c22-12-14-6-4-13(5-7-14)11-21-18(23)16-3-1-2-15(10-16)17-19-8-9-20-17/h1-10,22H,11-12H2,(H,19,20)(H,21,23)
InChIKeyKODJZEONRBGDHE-UHFFFAOYSA-N
XLogP2.50
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide
CID 77087997
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-(3-benzylsulfanylpropyl)-3-(1H-imidazol-2-yl)benzamide
CID 77082985
3-(1H-imidazol-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide;dihydrochloride
CID 154900753
3-hydroxy-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110472407
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 167835575
N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
CID 56826380
N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 87468856
2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide
CID 75447392
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68651367

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide (CID 77090081) is N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide is O=C(NCc1ccc(CO)cc1)c1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide?
The InChIKey is KODJZEONRBGDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-12-14-6-4-13(5-7-14)11-21-18(23)16-3-1-2-15(10-16)17-19-8-9-20-17/h1-10,22H,11-12H2,(H,19,20)(H,21,23).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-3-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 77090081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).