N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide

C23H27N3O2 — CID 139006253

IUPACN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc2c(c1)nc(CNC(=O)C1(c3ccccc3C)CCOCC1)n2C
InChIInChI=1S/C23H27N3O2/c1-16-8-9-20-19(14-16)25-21(26(20)3)15-24-22(27)23(10-12-28-13-11-23)18-7-5-4-6-17(18)2/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyBYZOTFJRHIMIQF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.55
Rot. Bonds4

About N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide

N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide (PubChem CID 139006253) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide
PubChem CID139006253
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc2c(c1)nc(CNC(=O)C1(c3ccccc3C)CCOCC1)n2C
InChIInChI=1S/C23H27N3O2/c1-16-8-9-20-19(14-16)25-21(26(20)3)15-24-22(27)23(10-12-28-13-11-23)18-7-5-4-6-17(18)2/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyBYZOTFJRHIMIQF-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide (CID 139006253) is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide is Cc1ccc2c(c1)nc(CNC(=O)C1(c3ccccc3C)CCOCC1)n2C.
What is the InChIKey of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide?
The InChIKey is BYZOTFJRHIMIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-8-9-20-19(14-16)25-21(26(20)3)15-24-22(27)23(10-12-28-13-11-23)18-7-5-4-6-17(18)2/h4-9,14H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide?
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-(2-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 139006253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).