6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide

C21H24N4O3 — CID 134810998

IUPAC6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide
SMILESCOc1ncccc1-c1cc(C(=O)NCC2CCOCC2)c2c(c1)ncn2C
InChIInChI=1S/C21H24N4O3/c1-25-13-24-18-11-15(16-4-3-7-22-21(16)27-2)10-17(19(18)25)20(26)23-12-14-5-8-28-9-6-14/h3-4,7,10-11,13-14H,5-6,8-9,12H2,1-2H3,(H,23,26)
InChIKeyPXMMHVPQLSWPBH-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.80
Rot. Bonds5

About 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide

6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide (PubChem CID 134810998) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide
PubChem CID134810998
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide
SMILESCOc1ncccc1-c1cc(C(=O)NCC2CCOCC2)c2c(c1)ncn2C
InChIInChI=1S/C21H24N4O3/c1-25-13-24-18-11-15(16-4-3-7-22-21(16)27-2)10-17(19(18)25)20(26)23-12-14-5-8-28-9-6-14/h3-4,7,10-11,13-14H,5-6,8-9,12H2,1-2H3,(H,23,26)
InChIKeyPXMMHVPQLSWPBH-UHFFFAOYSA-N
XLogP2.80
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide?
The IUPAC name of 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide (CID 134810998) is 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide is COc1ncccc1-c1cc(C(=O)NCC2CCOCC2)c2c(c1)ncn2C.
What is the InChIKey of 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide?
The InChIKey is PXMMHVPQLSWPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-25-13-24-18-11-15(16-4-3-7-22-21(16)27-2)10-17(19(18)25)20(26)23-12-14-5-8-28-9-6-14/h3-4,7,10-11,13-14H,5-6,8-9,12H2,1-2H3,(H,23,26).
What are the key properties of 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide?
6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-3-pyridinyl)-3-methyl-N-(oxan-4-ylmethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 134810998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).