4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

C23H23N5O — CID 48994302

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)n1
InChIInChI=1S/C23H23N5O/c1-17-13-18(2)28(26-17)15-20-3-7-21(8-4-20)23(29)25-14-19-5-9-22(10-6-19)27-12-11-24-16-27/h3-13,16H,14-15H2,1-2H3,(H,25,29)
InChIKeyBUSABUAMCINBGO-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.66
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 48994302) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID48994302
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)n1
InChIInChI=1S/C23H23N5O/c1-17-13-18(2)28(26-17)15-20-3-7-21(8-4-20)23(29)25-14-19-5-9-22(10-6-19)27-12-11-24-16-27/h3-13,16H,14-15H2,1-2H3,(H,25,29)
InChIKeyBUSABUAMCINBGO-UHFFFAOYSA-N
XLogP3.66
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56820271
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552141

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (CID 48994302) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is BUSABUAMCINBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17-13-18(2)28(26-17)15-20-3-7-21(8-4-20)23(29)25-14-19-5-9-22(10-6-19)27-12-11-24-16-27/h3-13,16H,14-15H2,1-2H3,(H,25,29).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 48994302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).