4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide

C21H23N3O2 — CID 94025005

IUPAC4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H23N3O2/c1-3-20(17-8-10-19(26-2)11-9-17)23-21(25)18-6-4-16(5-7-18)14-24-13-12-22-15-24/h4-13,15,20H,3,14H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyZGQPLRFFDQGURQ-FQEVSTJZSA-N
MW349.43 g/mol
LogP3.82
Rot. Bonds7

About 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide

4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide (PubChem CID 94025005) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
PubChem CID94025005
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H23N3O2/c1-3-20(17-8-10-19(26-2)11-9-17)23-21(25)18-6-4-16(5-7-18)14-24-13-12-22-15-24/h4-13,15,20H,3,14H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyZGQPLRFFDQGURQ-FQEVSTJZSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86991062

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide (CID 94025005) is 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is ZGQPLRFFDQGURQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-20(17-8-10-19(26-2)11-9-17)23-21(25)18-6-4-16(5-7-18)14-24-13-12-22-15-24/h4-13,15,20H,3,14H2,1-2H3,(H,23,25)/t20-/m0/s1.
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 94025005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).