N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide

C16H15N3O3 — CID 4695097

IUPACN-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(OC)c1
InChIInChI=1S/C16H15N3O3/c1-21-10-7-8-11(14(9-10)22-2)15(20)19-16-17-12-5-3-4-6-13(12)18-16/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyRODKEHTXDRLJPM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.83
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide

N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide (PubChem CID 4695097) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
PubChem CID4695097
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(OC)c1
InChIInChI=1S/C16H15N3O3/c1-21-10-7-8-11(14(9-10)22-2)15(20)19-16-17-12-5-3-4-6-13(12)18-16/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyRODKEHTXDRLJPM-UHFFFAOYSA-N
XLogP2.83
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
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N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
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N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide (CID 4695097) is N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(OC)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide?
The InChIKey is RODKEHTXDRLJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-10-7-8-11(14(9-10)22-2)15(20)19-16-17-12-5-3-4-6-13(12)18-16/h3-9H,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide?
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide has a molecular weight of 297.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 4695097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).