3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide

C18H19N3O3 — CID 36842808

IUPAC3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cnc3ccccc32)cc1OC
InChIInChI=1S/C18H19N3O3/c1-23-16-8-7-13(11-17(16)24-2)20-18(22)9-10-21-12-19-14-5-3-4-6-15(14)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
InChIKeyUECNSHKWISODKY-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.08
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide

3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 36842808) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID36842808
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCn2cnc3ccccc32)cc1OC
InChIInChI=1S/C18H19N3O3/c1-23-16-8-7-13(11-17(16)24-2)20-18(22)9-10-21-12-19-14-5-3-4-6-15(14)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
InChIKeyUECNSHKWISODKY-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 60553812
2-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111032850
1-[3-(benzimidazol-1-yl)propyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 11501573
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 50765768

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide (CID 36842808) is 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCn2cnc3ccccc32)cc1OC.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is UECNSHKWISODKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-16-8-7-13(11-17(16)24-2)20-18(22)9-10-21-12-19-14-5-3-4-6-15(14)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 36842808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).