4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide

C14H17N3O — CID 43918416

IUPAC4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C14H17N3O/c1-11(2)16-14(18)13-5-3-12(4-6-13)9-17-8-7-15-10-17/h3-8,10-11H,9H2,1-2H3,(H,16,18)
InChIKeyNSCQQZVWQBHOQH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.07
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide

4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 43918416) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID43918416
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C14H17N3O/c1-11(2)16-14(18)13-5-3-12(4-6-13)9-17-8-7-15-10-17/h3-8,10-11H,9H2,1-2H3,(H,16,18)
InChIKeyNSCQQZVWQBHOQH-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 100546059
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55719266

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide (CID 43918416) is 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is NSCQQZVWQBHOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(2)16-14(18)13-5-3-12(4-6-13)9-17-8-7-15-10-17/h3-8,10-11H,9H2,1-2H3,(H,16,18).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide?
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 43918416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).