4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

C18H22N6O — CID 119101685

IUPAC4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCC(C)C(Cn1nccn1)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H22N6O/c1-14(2)17(12-24-20-7-8-21-24)22-18(25)16-5-3-15(4-6-16)11-23-10-9-19-13-23/h3-10,13-14,17H,11-12H2,1-2H3,(H,22,25)
InChIKeyPBOXQOORDUAUHI-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.98
Rot. Bonds7

About 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (PubChem CID 119101685) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
PubChem CID119101685
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCC(C)C(Cn1nccn1)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H22N6O/c1-14(2)17(12-24-20-7-8-21-24)22-18(25)16-5-3-15(4-6-16)11-23-10-9-19-13-23/h3-10,13-14,17H,11-12H2,1-2H3,(H,22,25)
InChIKeyPBOXQOORDUAUHI-UHFFFAOYSA-N
XLogP1.98
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176696
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176647
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
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-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide
CID 129416978

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (CID 119101685) is 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is CC(C)C(Cn1nccn1)NC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The InChIKey is PBOXQOORDUAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-14(2)17(12-24-20-7-8-21-24)22-18(25)16-5-3-15(4-6-16)11-23-10-9-19-13-23/h3-10,13-14,17H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 119101685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).