N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C24H29N3O3 — CID 16975348

IUPACN-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCc1cccc(OCCn2c(CCNC(=O)C3CCCO3)nc3ccccc32)c1C
InChIInChI=1S/C24H29N3O3/c1-17-7-5-10-21(18(17)2)30-16-14-27-20-9-4-3-8-19(20)26-23(27)12-13-25-24(28)22-11-6-15-29-22/h3-5,7-10,22H,6,11-16H2,1-2H3,(H,25,28)
InChIKeyDFFAQOLQJVYRPJ-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.57
Rot. Bonds8

About N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 16975348) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID16975348
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCc1cccc(OCCn2c(CCNC(=O)C3CCCO3)nc3ccccc32)c1C
InChIInChI=1S/C24H29N3O3/c1-17-7-5-10-21(18(17)2)30-16-14-27-20-9-4-3-8-19(20)26-23(27)12-13-25-24(28)22-11-6-15-29-22/h3-5,7-10,22H,6,11-16H2,1-2H3,(H,25,28)
InChIKeyDFFAQOLQJVYRPJ-UHFFFAOYSA-N
XLogP3.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975074
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981845
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981874
N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975361
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981827
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975354
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975083
N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981546
N-[2-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975415
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975407
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 16975348) is N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is Cc1cccc(OCCn2c(CCNC(=O)C3CCCO3)nc3ccccc32)c1C.
What is the InChIKey of N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is DFFAQOLQJVYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17-7-5-10-21(18(17)2)30-16-14-27-20-9-4-3-8-19(20)26-23(27)12-13-25-24(28)22-11-6-15-29-22/h3-5,7-10,22H,6,11-16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 16975348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).