3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

C21H25N3O3 — CID 38091464

IUPAC3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C21H25N3O3/c1-15-23-18-6-4-5-7-19(18)24(15)13-12-22-21(25)11-8-16-14-17(26-2)9-10-20(16)27-3/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,22,25)
InChIKeyHHDMYQAXHQTNAT-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.11
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (PubChem CID 38091464) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
PubChem CID38091464
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C21H25N3O3/c1-15-23-18-6-4-5-7-19(18)24(15)13-12-22-21(25)11-8-16-14-17(26-2)9-10-20(16)27-3/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,22,25)
InChIKeyHHDMYQAXHQTNAT-UHFFFAOYSA-N
XLogP3.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 24554303
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 55494091
3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 26443966
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 71827803
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (CID 38091464) is 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is COc1ccc(OC)c(CCC(=O)NCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The InChIKey is HHDMYQAXHQTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-23-18-6-4-5-7-19(18)24(15)13-12-22-21(25)11-8-16-14-17(26-2)9-10-20(16)27-3/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,22,25).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 38091464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).