N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C27H27N3O2 — CID 72544408

IUPACN-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H27N3O2/c1-20-18-30(19-29-20)25-14-13-23(17-26(25)32-2)27(31)28-16-15-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17-19,24H,15-16H2,1-2H3,(H,28,31)
InChIKeyCLRDMKCKPDGJDR-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.14
Rot. Bonds8

About N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 72544408) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID72544408
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H27N3O2/c1-20-18-30(19-29-20)25-14-13-23(17-26(25)32-2)27(31)28-16-15-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17-19,24H,15-16H2,1-2H3,(H,28,31)
InChIKeyCLRDMKCKPDGJDR-UHFFFAOYSA-N
XLogP5.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 72544408) is N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is CLRDMKCKPDGJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-20-18-30(19-29-20)25-14-13-23(17-26(25)32-2)27(31)28-16-15-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17-19,24H,15-16H2,1-2H3,(H,28,31).
What are the key properties of N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 72544408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).