3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide

C20H23N3O2 — CID 8914517

IUPAC3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(NC(=O)CCOc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-3-13-23-18-7-5-4-6-17(18)21-20(23)22-19(24)12-14-25-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,22,24)
InChIKeyYHXOKKWPGTVYBP-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.16
Rot. Bonds7

About 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide

3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide (PubChem CID 8914517) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
PubChem CID8914517
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(NC(=O)CCOc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-3-13-23-18-7-5-4-6-17(18)21-20(23)22-19(24)12-14-25-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,22,24)
InChIKeyYHXOKKWPGTVYBP-UHFFFAOYSA-N
XLogP4.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
4-[(4-methylphenoxy)methyl]-N-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 19493010
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
CID 30178636
3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide
CID 60572664
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17006087
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
CID 19492211
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 4831317
N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988292

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide (CID 8914517) is 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide is CCCn1c(NC(=O)CCOc2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide?
The InChIKey is YHXOKKWPGTVYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-13-23-18-7-5-4-6-17(18)21-20(23)22-19(24)12-14-25-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,22,24).
What are the key properties of 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide?
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 8914517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).