N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide

C20H23N3O2 — CID 86938286

IUPACN-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NC(CC)c2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C20H23N3O2/c1-4-15(19-21-16-8-6-7-9-17(16)22-19)23-20(24)14-10-11-18(25-5-2)13(3)12-14/h6-12,15H,4-5H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyODSPMCSYSKMVDO-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.15
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide

N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide (PubChem CID 86938286) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide
PubChem CID86938286
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NC(CC)c2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C20H23N3O2/c1-4-15(19-21-16-8-6-7-9-17(16)22-19)23-20(24)14-10-11-18(25-5-2)13(3)12-14/h6-12,15H,4-5H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyODSPMCSYSKMVDO-UHFFFAOYSA-N
XLogP4.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-ethoxy-4-methoxybenzamide
CID 55814527
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[2-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 45354461
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759959
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4H-1,3-benzodioxine-6-carboxamide
CID 96568651
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
CID 3484106
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55862157

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide (CID 86938286) is N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)NC(CC)c2nc3ccccc3[nH]2)cc1C.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide?
The InChIKey is ODSPMCSYSKMVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-15(19-21-16-8-6-7-9-17(16)22-19)23-20(24)14-10-11-18(25-5-2)13(3)12-14/h6-12,15H,4-5H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide?
N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 86938286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).