2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide

C29H30N4O3 — CID 42398694

IUPAC2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCC(c3ccccc3)CC2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C29H30N4O3/c1-32-27-24(30-26(34)19-36-2)17-23(18-25(27)31-28(32)22-11-7-4-8-12-22)29(35)33-15-13-21(14-16-33)20-9-5-3-6-10-20/h3-12,17-18,21H,13-16,19H2,1-2H3,(H,30,34)
InChIKeyZLCZEHXAPWYVQP-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.84
Rot. Bonds6

About 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide

2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide (PubChem CID 42398694) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide
PubChem CID42398694
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCC(c3ccccc3)CC2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C29H30N4O3/c1-32-27-24(30-26(34)19-36-2)17-23(18-25(27)31-28(32)22-11-7-4-8-12-22)29(35)33-15-13-21(14-16-33)20-9-5-3-6-10-20/h3-12,17-18,21H,13-16,19H2,1-2H3,(H,30,34)
InChIKeyZLCZEHXAPWYVQP-UHFFFAOYSA-N
XLogP4.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide (CID 42398694) is 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide is COCC(=O)Nc1cc(C(=O)N2CCC(c3ccccc3)CC2)cc2nc(-c3ccccc3)n(C)c12.
What is the InChIKey of 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide?
The InChIKey is ZLCZEHXAPWYVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-32-27-24(30-26(34)19-36-2)17-23(18-25(27)31-28(32)22-11-7-4-8-12-22)29(35)33-15-13-21(14-16-33)20-9-5-3-6-10-20/h3-12,17-18,21H,13-16,19H2,1-2H3,(H,30,34).
What are the key properties of 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide?
2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide has a molecular weight of 482.58 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-2-phenyl-6-(4-phenylpiperidine-1-carbonyl)benzimidazol-4-yl]acetamide is sourced from PubChem (CID 42398694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).