4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide

C15H14N4O3 — CID 68972436

IUPAC4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc3[nH]c(C(N)=O)nc23)o1
InChIInChI=1S/C15H14N4O3/c1-8-5-6-9(22-8)7-17-15(21)10-3-2-4-11-12(10)19-14(18-11)13(16)20/h2-6H,7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyXXAVRORKMAGSOC-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.49
Rot. Bonds4

About 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide

4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide (PubChem CID 68972436) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide
PubChem CID68972436
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc3[nH]c(C(N)=O)nc23)o1
InChIInChI=1S/C15H14N4O3/c1-8-5-6-9(22-8)7-17-15(21)10-3-2-4-11-12(10)19-14(18-11)13(16)20/h2-6H,7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyXXAVRORKMAGSOC-UHFFFAOYSA-N
XLogP1.49
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide?
The IUPAC name of 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide (CID 68972436) is 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide is Cc1ccc(CNC(=O)c2cccc3[nH]c(C(N)=O)nc23)o1.
What is the InChIKey of 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide?
The InChIKey is XXAVRORKMAGSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-8-5-6-9(22-8)7-17-15(21)10-3-2-4-11-12(10)19-14(18-11)13(16)20/h2-6H,7H2,1H3,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide?
4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide is sourced from PubChem (CID 68972436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).