N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide

C22H25N3O — CID 46766795

IUPACN-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCCC(NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1C
InChIInChI=1S/C22H25N3O/c1-4-21(20-10-5-16(2)13-17(20)3)24-22(26)19-8-6-18(7-9-19)14-25-12-11-23-15-25/h5-13,15,21H,4,14H2,1-3H3,(H,24,26)
InChIKeyHTPFQXBWOIIYFX-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.43
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide

N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 46766795) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID46766795
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCCC(NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1C
InChIInChI=1S/C22H25N3O/c1-4-21(20-10-5-16(2)13-17(20)3)24-22(26)19-8-6-18(7-9-19)14-25-12-11-23-15-25/h5-13,15,21H,4,14H2,1-3H3,(H,24,26)
InChIKeyHTPFQXBWOIIYFX-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94025465
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166211543
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide (CID 46766795) is N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide is CCC(NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is HTPFQXBWOIIYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-4-21(20-10-5-16(2)13-17(20)3)24-22(26)19-8-6-18(7-9-19)14-25-12-11-23-15-25/h5-13,15,21H,4,14H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46766795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).