4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide

C16H18N6O — CID 125438565

IUPAC4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)c1ncnn1C
InChIInChI=1S/C16H18N6O/c1-3-14(15-18-10-19-21(15)2)20-16(23)12-4-6-13(7-5-12)22-9-8-17-11-22/h4-11,14H,3H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyMZMZDZQSZCMHPF-CQSZACIVSA-N
MW310.36 g/mol
LogP1.88
Rot. Bonds5

About 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide

4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide (PubChem CID 125438565) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
PubChem CID125438565
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)c1ncnn1C
InChIInChI=1S/C16H18N6O/c1-3-14(15-18-10-19-21(15)2)20-16(23)12-4-6-13(7-5-12)22-9-8-17-11-22/h4-11,14H,3H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyMZMZDZQSZCMHPF-CQSZACIVSA-N
XLogP1.88
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125446952
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
CID 50980294
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 122557720
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42093175
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 122559825
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 124750445

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide (CID 125438565) is 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide is CC[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)c1ncnn1C.
What is the InChIKey of 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The InChIKey is MZMZDZQSZCMHPF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-14(15-18-10-19-21(15)2)20-16(23)12-4-6-13(7-5-12)22-9-8-17-11-22/h4-11,14H,3H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide has a molecular weight of 310.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide is sourced from PubChem (CID 125438565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).