N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide

C22H27N3O3 — CID 91821956

IUPACN-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOCCn1c(C(C)NC(=O)CCc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-16(23-21(26)13-10-17-8-11-18(28-3)12-9-17)22-24-19-6-4-5-7-20(19)25(22)14-15-27-2/h4-9,11-12,16H,10,13-15H2,1-3H3,(H,23,26)
InChIKeyIHWMQYRJNNTFKO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.50
Rot. Bonds9

About N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 91821956) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID91821956
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOCCn1c(C(C)NC(=O)CCc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-16(23-21(26)13-10-17-8-11-18(28-3)12-9-17)22-24-19-6-4-5-7-20(19)25(22)14-15-27-2/h4-9,11-12,16H,10,13-15H2,1-3H3,(H,23,26)
InChIKeyIHWMQYRJNNTFKO-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968767
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide
CID 133143535
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 91821956) is N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide is COCCn1c(C(C)NC(=O)CCc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is IHWMQYRJNNTFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(23-21(26)13-10-17-8-11-18(28-3)12-9-17)22-24-19-6-4-5-7-20(19)25(22)14-15-27-2/h4-9,11-12,16H,10,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 91821956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).