N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C29H26N4O3 — CID 3290235

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1onc(-c2ccccc2)c1CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C29H26N4O3/c1-19-23(28(31-36-19)20-8-4-3-5-9-20)17-33(18-27-30-24-10-6-7-11-25(24)32(27)2)29(34)22-12-13-26-21(16-22)14-15-35-26/h3-13,16H,14-15,17-18H2,1-2H3
InChIKeyJSSKMRZMADGQQT-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.31
Rot. Bonds6

About N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 3290235) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID3290235
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1onc(-c2ccccc2)c1CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C29H26N4O3/c1-19-23(28(31-36-19)20-8-4-3-5-9-20)17-33(18-27-30-24-10-6-7-11-25(24)32(27)2)29(34)22-12-13-26-21(16-22)14-15-35-26/h3-13,16H,14-15,17-18H2,1-2H3
InChIKeyJSSKMRZMADGQQT-UHFFFAOYSA-N
XLogP5.31
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 3290235) is N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1onc(-c2ccccc2)c1CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is JSSKMRZMADGQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-19-23(28(31-36-19)20-8-4-3-5-9-20)17-33(18-27-30-24-10-6-7-11-25(24)32(27)2)29(34)22-12-13-26-21(16-22)14-15-35-26/h3-13,16H,14-15,17-18H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 3290235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).