5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide

C17H18N4O3 — CID 177139414

IUPAC5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2c(OC)ccc3[nH]c(C)nc23)cn1
InChIInChI=1S/C17H18N4O3/c1-9-7-14(24-4)18-8-12(9)21-17(22)15-13(23-3)6-5-11-16(15)20-10(2)19-11/h5-8H,1-4H3,(H,19,20)(H,21,22)
InChIKeyDJWVGDHPMWBOQM-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.84
Rot. Bonds4

About 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide

5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 177139414) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide
PubChem CID177139414
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2c(OC)ccc3[nH]c(C)nc23)cn1
InChIInChI=1S/C17H18N4O3/c1-9-7-14(24-4)18-8-12(9)21-17(22)15-13(23-3)6-5-11-16(15)20-10(2)19-11/h5-8H,1-4H3,(H,19,20)(H,21,22)
InChIKeyDJWVGDHPMWBOQM-UHFFFAOYSA-N
XLogP2.84
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide (CID 177139414) is 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide is COc1cc(C)c(NC(=O)c2c(OC)ccc3[nH]c(C)nc23)cn1.
What is the InChIKey of 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is DJWVGDHPMWBOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-9-7-14(24-4)18-8-12(9)21-17(22)15-13(23-3)6-5-11-16(15)20-10(2)19-11/h5-8H,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide?
5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 177139414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).