3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide

C18H19N3O2 — CID 53131365

IUPAC3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-23-15-7-5-14(6-8-15)21-18(22)10-4-13-3-9-16-17(11-13)20-12-19-16/h3,5-9,11-12H,2,4,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyNBABIDFFMWGLLH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.53
Rot. Bonds6

About 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide

3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide (PubChem CID 53131365) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide
PubChem CID53131365
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-23-15-7-5-14(6-8-15)21-18(22)10-4-13-3-9-16-17(11-13)20-12-19-16/h3,5-9,11-12H,2,4,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyNBABIDFFMWGLLH-UHFFFAOYSA-N
XLogP3.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
CID 110772496
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N-[4-(diethylamino)phenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226078
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
2-(3H-benzimidazol-5-yl)-N-[4-[(2-fluorophenyl)methoxy]phenyl]acetamide
CID 46951689
2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide (CID 53131365) is 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is NBABIDFFMWGLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-23-15-7-5-14(6-8-15)21-18(22)10-4-13-3-9-16-17(11-13)20-12-19-16/h3,5-9,11-12H,2,4,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide?
3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 53131365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).