N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

C22H27N3O3 — CID 16974874

IUPACN-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccccc1OCCn1c(CCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-16(2)22(26)23-13-12-21-24-17-8-4-5-9-18(17)25(21)14-15-28-20-11-7-6-10-19(20)27-3/h4-11,16H,12-15H2,1-3H3,(H,23,26)
InChIKeyKJNWVMXXVNPFPM-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.44
Rot. Bonds9

About N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide (PubChem CID 16974874) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
PubChem CID16974874
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccccc1OCCn1c(CCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-16(2)22(26)23-13-12-21-24-17-8-4-5-9-18(17)25(21)14-15-28-20-11-7-6-10-19(20)27-3/h4-11,16H,12-15H2,1-3H3,(H,23,26)
InChIKeyKJNWVMXXVNPFPM-UHFFFAOYSA-N
XLogP3.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965962
2-(4-methoxyphenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979608
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006243
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230
N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966070
2-(3,4-dimethoxyphenyl)-N-[2-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979798
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16974588
N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030325
2-ethyl-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966556
2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993701

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide (CID 16974874) is N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide is COc1ccccc1OCCn1c(CCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The InChIKey is KJNWVMXXVNPFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)22(26)23-13-12-21-24-17-8-4-5-9-18(17)25(21)14-15-28-20-11-7-6-10-19(20)27-3/h4-11,16H,12-15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide has a molecular weight of 381.48 g/mol, XLogP of 3.44, 9 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-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 16974874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).