N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide

C24H29N3O3 — CID 91640345

IUPACN-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
SMILESCOCCn1c([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-18(22-26-20-10-6-7-11-21(20)27(22)14-17-29-2)25-23(28)24(12-15-30-16-13-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyZIFRMZCMWICMJC-SFHVURJKSA-N
MW407.51 g/mol
LogP3.61
Rot. Bonds7

About N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide

N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 91640345) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
PubChem CID91640345
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
SMILESCOCCn1c([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-18(22-26-20-10-6-7-11-21(20)27(22)14-17-29-2)25-23(28)24(12-15-30-16-13-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyZIFRMZCMWICMJC-SFHVURJKSA-N
XLogP3.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 91821029
4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 86207187
N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-4-phenyloxane-4-carboxamide
CID 91640712
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 92614078
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
CID 75489193
4-(4-methoxyphenyl)-N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]oxane-4-carboxamide
CID 91637801
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
2-(2,3-dihydro-1-benzofuran-6-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 91821679
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91823687
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide (CID 91640345) is N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide is COCCn1c([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is ZIFRMZCMWICMJC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(22-26-20-10-6-7-11-21(20)27(22)14-17-29-2)25-23(28)24(12-15-30-16-13-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide?
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 91640345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).