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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Related Compounds

1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
CID 75489193
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 119052037
4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94676201
4-(2-methylphenyl)oxane-4-carboxylic acid
CID 18524018
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 119052040
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 60783556
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine
CID 115292247
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471719
N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
CID 154843835

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).