N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide

C19H21N3O3 — CID 110785967

IUPACN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C19H21N3O3/c1-12-21-17-7-13(5-6-18(17)22(12)2)11-20-19(23)14-8-15(24-3)10-16(9-14)25-4/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyUONQDPLMJJJMLI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.83
Rot. Bonds5

About N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide (PubChem CID 110785967) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
PubChem CID110785967
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C19H21N3O3/c1-12-21-17-7-13(5-6-18(17)22(12)2)11-20-19(23)14-8-15(24-3)10-16(9-14)25-4/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyUONQDPLMJJJMLI-UHFFFAOYSA-N
XLogP2.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide 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

methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
CID 110785961
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 90652658
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide
CID 119059423
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 94809037

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide (CID 110785967) is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCc2ccc3c(c2)nc(C)n3C)c1.
What is the InChIKey of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is UONQDPLMJJJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-21-17-7-13(5-6-18(17)22(12)2)11-20-19(23)14-8-15(24-3)10-16(9-14)25-4/h5-10H,11H2,1-4H3,(H,20,23).
What are the key properties of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide?
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 339.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110785967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).