3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide

C19H25N3O3 — CID 113081519

IUPAC3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2nc3c([nH]2)CCCC3)cc1OC
InChIInChI=1S/C19H25N3O3/c1-24-16-9-7-13(11-17(16)25-2)8-10-19(23)20-12-18-21-14-5-3-4-6-15(14)22-18/h7,9,11H,3-6,8,10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIYJDWTPZRNCSOD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.55
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide (PubChem CID 113081519) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
PubChem CID113081519
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2nc3c([nH]2)CCCC3)cc1OC
InChIInChI=1S/C19H25N3O3/c1-24-16-9-7-13(11-17(16)25-2)8-10-19(23)20-12-18-21-14-5-3-4-6-15(14)22-18/h7,9,11H,3-6,8,10,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIYJDWTPZRNCSOD-UHFFFAOYSA-N
XLogP2.55
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 113081493
3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 110744092
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081564
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081462
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110742436
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide (CID 113081519) is 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide is COc1ccc(CCC(=O)NCc2nc3c([nH]2)CCCC3)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide?
The InChIKey is IYJDWTPZRNCSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-16-9-7-13(11-17(16)25-2)8-10-19(23)20-12-18-21-14-5-3-4-6-15(14)22-18/h7,9,11H,3-6,8,10,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 113081519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).