2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

C25H20ClN3O2 — CID 37423336

IUPAC2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN3O2/c26-21-11-9-20(10-12-21)24(30)22-3-1-2-4-23(22)25(31)28-15-18-5-7-19(8-6-18)16-29-14-13-27-17-29/h1-14,17H,15-16H2,(H,28,31)
InChIKeyNMDHVQAWINYOPQ-UHFFFAOYSA-N
MW429.91 g/mol
LogP4.75
Rot. Bonds7

About 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 37423336) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID37423336
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC Name2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN3O2/c26-21-11-9-20(10-12-21)24(30)22-3-1-2-4-23(22)25(31)28-15-18-5-7-19(8-6-18)16-29-14-13-27-17-29/h1-14,17H,15-16H2,(H,28,31)
InChIKeyNMDHVQAWINYOPQ-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38101764
4-chloro-N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 37426519
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
2-(4-chlorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34906705
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (CID 37423336) is 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is NMDHVQAWINYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c26-21-11-9-20(10-12-21)24(30)22-3-1-2-4-23(22)25(31)28-15-18-5-7-19(8-6-18)16-29-14-13-27-17-29/h1-14,17H,15-16H2,(H,28,31).
What are the key properties of 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 429.91 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 37423336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).