N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide

C18H19N3O3 — CID 51143940

IUPACN-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3[nH]2)cc(OC)c1C
InChIInChI=1S/C18H19N3O3/c1-11-15(23-2)8-12(9-16(11)24-3)18(22)19-10-17-20-13-6-4-5-7-14(13)21-17/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyAEPWKECRTXJURO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.82
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 51143940) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID51143940
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3[nH]2)cc(OC)c1C
InChIInChI=1S/C18H19N3O3/c1-11-15(23-2)8-12(9-16(11)24-3)18(22)19-10-17-20-13-6-4-5-7-14(13)21-17/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyAEPWKECRTXJURO-UHFFFAOYSA-N
XLogP2.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 125432858
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 51191763
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
CID 77090238
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 38283922
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide (CID 51143940) is N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCc2nc3ccccc3[nH]2)cc(OC)c1C.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is AEPWKECRTXJURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-15(23-2)8-12(9-16(11)24-3)18(22)19-10-17-20-13-6-4-5-7-14(13)21-17/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 51143940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).