2-(1H-imidazol-2-ylmethyl)benzamide

C11H11N3O — CID 141109927

IUPAC2-(1H-imidazol-2-ylmethyl)benzamide
SMILESNC(=O)c1ccccc1Cc1ncc[nH]1
InChIInChI=1S/C11H11N3O/c12-11(15)9-4-2-1-3-8(9)7-10-13-5-6-14-10/h1-6H,7H2,(H2,12,15)(H,13,14)
InChIKeyKIMMXKMRPSFZQN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.10
Rot. Bonds3

About 2-(1H-imidazol-2-ylmethyl)benzamide

2-(1H-imidazol-2-ylmethyl)benzamide (PubChem CID 141109927) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethyl)benzamide
PubChem CID141109927
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(1H-imidazol-2-ylmethyl)benzamide
SMILESNC(=O)c1ccccc1Cc1ncc[nH]1
InChIInChI=1S/C11H11N3O/c12-11(15)9-4-2-1-3-8(9)7-10-13-5-6-14-10/h1-6H,7H2,(H2,12,15)(H,13,14)
InChIKeyKIMMXKMRPSFZQN-UHFFFAOYSA-N
XLogP1.10
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 137094476
2-(1H-imidazole-2-carbonyl)benzamide
CID 607520
2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride
CID 50988132
ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate
CID 70506701
2-(1H-imidazol-2-yl)benzamide;hydrate
CID 140783933
2-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]benzoic acid
CID 104601596
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]acetic acid
CID 70575857
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]hydrazine
CID 6389027
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
2-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 173161796

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethyl)benzamide?
The IUPAC name of 2-(1H-imidazol-2-ylmethyl)benzamide (CID 141109927) is 2-(1H-imidazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethyl)benzamide?
The canonical SMILES for 2-(1H-imidazol-2-ylmethyl)benzamide is NC(=O)c1ccccc1Cc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethyl)benzamide?
The InChIKey is KIMMXKMRPSFZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(15)9-4-2-1-3-8(9)7-10-13-5-6-14-10/h1-6H,7H2,(H2,12,15)(H,13,14).
What are the key properties of 2-(1H-imidazol-2-ylmethyl)benzamide?
2-(1H-imidazol-2-ylmethyl)benzamide has a molecular weight of 201.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethyl)benzamide is sourced from PubChem (CID 141109927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).