N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide

C19H21N3O2 — CID 21008909

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H21N3O2/c1-2-12-24-15-7-5-6-14(13-15)19(23)20-11-10-18-21-16-8-3-4-9-17(16)22-18/h3-9,13H,2,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyWOHHHMJQFGDLID-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.32
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide (PubChem CID 21008909) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
PubChem CID21008909
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H21N3O2/c1-2-12-24-15-7-5-6-14(13-15)19(23)20-11-10-18-21-16-8-3-4-9-17(16)22-18/h3-9,13H,2,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyWOHHHMJQFGDLID-UHFFFAOYSA-N
XLogP3.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide 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-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
CID 110499895
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 719296
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 59018258
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
CID 78769748

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide (CID 21008909) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide?
The InChIKey is WOHHHMJQFGDLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-12-24-15-7-5-6-14(13-15)19(23)20-11-10-18-21-16-8-3-4-9-17(16)22-18/h3-9,13H,2,10-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide has a molecular weight of 323.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide is sourced from PubChem (CID 21008909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).