3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide

C19H21N3O3 — CID 110744582

IUPAC3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3c(c2)ncn3C)cc1OC
InChIInChI=1S/C19H21N3O3/c1-22-12-20-15-11-14(6-7-16(15)22)21-19(23)9-5-13-4-8-17(24-2)18(10-13)25-3/h4,6-8,10-12H,5,9H2,1-3H3,(H,21,23)
InChIKeyKIKSWGFFQBKBMS-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.16
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide (PubChem CID 110744582) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
PubChem CID110744582
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3c(c2)ncn3C)cc1OC
InChIInChI=1S/C19H21N3O3/c1-22-12-20-15-11-14(6-7-16(15)22)21-19(23)9-5-13-4-8-17(24-2)18(10-13)25-3/h4,6-8,10-12H,5,9H2,1-3H3,(H,21,23)
InChIKeyKIKSWGFFQBKBMS-UHFFFAOYSA-N
XLogP3.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 43027725
3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 71703575
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
(1-methylbenzimidazol-5-yl)urea
CID 12521213
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide (CID 110744582) is 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide is COc1ccc(CCC(=O)Nc2ccc3c(c2)ncn3C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide?
The InChIKey is KIKSWGFFQBKBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22-12-20-15-11-14(6-7-16(15)22)21-19(23)9-5-13-4-8-17(24-2)18(10-13)25-3/h4,6-8,10-12H,5,9H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 110744582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).