4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide

C23H27N3O3 — CID 86207187

IUPAC4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)c3nc4ccccc4n3C)CCOCC2)cc1
InChIInChI=1S/C23H27N3O3/c1-16(21-25-19-6-4-5-7-20(19)26(21)2)24-22(27)23(12-14-29-15-13-23)17-8-10-18(28-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,24,27)
InChIKeyMBYUDSQNRGEXKY-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.51
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide

4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 86207187) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
PubChem CID86207187
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)c3nc4ccccc4n3C)CCOCC2)cc1
InChIInChI=1S/C23H27N3O3/c1-16(21-25-19-6-4-5-7-20(19)26(21)2)24-22(27)23(12-14-29-15-13-23)17-8-10-18(28-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,24,27)
InChIKeyMBYUDSQNRGEXKY-UHFFFAOYSA-N
XLogP3.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]oxane-4-carboxamide
CID 91637801
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 91640345
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 91821029
N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-4-phenyloxane-4-carboxamide
CID 91640712
methyl 1-[[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylate
CID 99636066
4-(4-methoxyphenyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 91822927
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 92614078
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 92612308
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 46979727
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide (CID 86207187) is 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide is COc1ccc(C2(C(=O)NC(C)c3nc4ccccc4n3C)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is MBYUDSQNRGEXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(21-25-19-6-4-5-7-20(19)26(21)2)24-22(27)23(12-14-29-15-13-23)17-8-10-18(28-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 86207187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).