2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide

C29H31N3O3 — CID 132779946

IUPAC2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCOc1ccccc1-c1cccc(CC2(C(=O)NCCc3nc4ccccc4n3C)CCCO2)c1
InChIInChI=1S/C29H31N3O3/c1-32-25-13-5-4-12-24(25)31-27(32)15-17-30-28(33)29(16-8-18-35-29)20-21-9-7-10-22(19-21)23-11-3-6-14-26(23)34-2/h3-7,9-14,19H,8,15-18,20H2,1-2H3,(H,30,33)
InChIKeyHLQPKVTXZFLZOF-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.70
Rot. Bonds8

About 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide

2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 132779946) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID132779946
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESCOc1ccccc1-c1cccc(CC2(C(=O)NCCc3nc4ccccc4n3C)CCCO2)c1
InChIInChI=1S/C29H31N3O3/c1-32-25-13-5-4-12-24(25)31-27(32)15-17-30-28(33)29(16-8-18-35-29)20-21-9-7-10-22(19-21)23-11-3-6-14-26(23)34-2/h3-7,9-14,19H,8,15-18,20H2,1-2H3,(H,30,33)
InChIKeyHLQPKVTXZFLZOF-UHFFFAOYSA-N
XLogP4.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 129455798
(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 124970605
(2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95806174
(2S)-N-(4-imidazol-1-ylbutyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 129457151
(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 124590456
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861
1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide
CID 118790225
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72927891

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide (CID 132779946) is 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is COc1ccccc1-c1cccc(CC2(C(=O)NCCc3nc4ccccc4n3C)CCCO2)c1.
What is the InChIKey of 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is HLQPKVTXZFLZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-32-25-13-5-4-12-24(25)31-27(32)15-17-30-28(33)29(16-8-18-35-29)20-21-9-7-10-22(19-21)23-11-3-6-14-26(23)34-2/h3-7,9-14,19H,8,15-18,20H2,1-2H3,(H,30,33).
What are the key properties of 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide?
2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 132779946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).