2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide

C16H16N4O — CID 58146258

IUPAC2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)cc3[nH]c(C)nc23)nc1
InChIInChI=1S/C16H16N4O/c1-9-4-5-14(17-8-9)20-16(21)12-6-10(2)7-13-15(12)19-11(3)18-13/h4-8H,1-3H3,(H,18,19)(H,17,20,21)
InChIKeyFSBKVMCNVIWNNS-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.14
Rot. Bonds2

About 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide

2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide (PubChem CID 58146258) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide
PubChem CID58146258
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)cc3[nH]c(C)nc23)nc1
InChIInChI=1S/C16H16N4O/c1-9-4-5-14(17-8-9)20-16(21)12-6-10(2)7-13-15(12)19-11(3)18-13/h4-8H,1-3H3,(H,18,19)(H,17,20,21)
InChIKeyFSBKVMCNVIWNNS-UHFFFAOYSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Felcisetrag
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AR-H047108
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Acalisib
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Avp-13358
CID 9805635

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide (CID 58146258) is 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)cc3[nH]c(C)nc23)nc1.
What is the InChIKey of 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is FSBKVMCNVIWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-9-4-5-14(17-8-9)20-16(21)12-6-10(2)7-13-15(12)19-11(3)18-13/h4-8H,1-3H3,(H,18,19)(H,17,20,21).
What are the key properties of 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide?
2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(5-methyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58146258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).