4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide

C23H27N3O — CID 100571968

IUPAC4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCC(C)c1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C23H27N3O/c1-18(2)21-9-5-19(6-10-21)4-3-13-25-23(27)22-11-7-20(8-12-22)16-26-15-14-24-17-26/h5-12,14-15,17-18H,3-4,13,16H2,1-2H3,(H,25,27)
InChIKeyBHNUQDQOLPCAAR-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.42
Rot. Bonds8

About 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide

4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide (PubChem CID 100571968) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
PubChem CID100571968
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCC(C)c1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C23H27N3O/c1-18(2)21-9-5-19(6-10-21)4-3-13-25-23(27)22-11-7-20(8-12-22)16-26-15-14-24-17-26/h5-12,14-15,17-18H,3-4,13,16H2,1-2H3,(H,25,27)
InChIKeyBHNUQDQOLPCAAR-UHFFFAOYSA-N
XLogP4.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-chloro-N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 37426519
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721630
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537554

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide (CID 100571968) is 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide is CC(C)c1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide?
The InChIKey is BHNUQDQOLPCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18(2)21-9-5-19(6-10-21)4-3-13-25-23(27)22-11-7-20(8-12-22)16-26-15-14-24-17-26/h5-12,14-15,17-18H,3-4,13,16H2,1-2H3,(H,25,27).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide is sourced from PubChem (CID 100571968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).