N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C24H28ClN3O3 — CID 16975361

IUPACN-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCc1cc(OCCn2c(CCNC(=O)C3CCCO3)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C24H28ClN3O3/c1-16-14-18(15-17(2)23(16)25)30-13-11-28-20-7-4-3-6-19(20)27-22(28)9-10-26-24(29)21-8-5-12-31-21/h3-4,6-7,14-15,21H,5,8-13H2,1-2H3,(H,26,29)
InChIKeyCAJBIEHHGZHXKD-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.22
Rot. Bonds8

About N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 16975361) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID16975361
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC NameN-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCc1cc(OCCn2c(CCNC(=O)C3CCCO3)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C24H28ClN3O3/c1-16-14-18(15-17(2)23(16)25)30-13-11-28-20-7-4-3-6-19(20)27-22(28)9-10-26-24(29)21-8-5-12-31-21/h3-4,6-7,14-15,21H,5,8-13H2,1-2H3,(H,26,29)
InChIKeyCAJBIEHHGZHXKD-UHFFFAOYSA-N
XLogP4.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974070
N-[2-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975415
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975348
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994547
N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994501
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981827
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-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 16975361) is N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is Cc1cc(OCCn2c(CCNC(=O)C3CCCO3)nc3ccccc32)cc(C)c1Cl.
What is the InChIKey of N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is CAJBIEHHGZHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-16-14-18(15-17(2)23(16)25)30-13-11-28-20-7-4-3-6-19(20)27-22(28)9-10-26-24(29)21-8-5-12-31-21/h3-4,6-7,14-15,21H,5,8-13H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[2-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 4.22, 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-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 16975361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).