N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide

C13H12N3O2+ — CID 4746249

IUPACN-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1[nH]c2ccccc2[nH+]1
InChIInChI=1S/C13H11N3O2/c1-8-9(6-7-18-8)12(17)16-13-14-10-4-2-3-5-11(10)15-13/h2-7H,1H3,(H2,14,15,16,17)/p+1
InChIKeyIKJKJZMTPNPCSL-UHFFFAOYSA-O
MW242.26 g/mol
LogP2.14
Rot. Bonds2

About N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide

N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 4746249) has the molecular formula C13H12N3O2+ and a molecular weight of 242.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide
PubChem CID4746249
Molecular FormulaC13H12N3O2+
Molecular Weight242.26 g/mol
Exact Mass242.09
IUPAC NameN-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1[nH]c2ccccc2[nH+]1
InChIInChI=1S/C13H11N3O2/c1-8-9(6-7-18-8)12(17)16-13-14-10-4-2-3-5-11(10)15-13/h2-7H,1H3,(H2,14,15,16,17)/p+1
InChIKeyIKJKJZMTPNPCSL-UHFFFAOYSA-O
XLogP2.14
TPSA72.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9H-carbazol-3-yl)-2-methylfuran-3-carboxamide
CID 43917235
2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
CID 58664593
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(1H-indazol-5-yl)-2-methylfuran-3-carboxamide
CID 17148684
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 46994776

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide (CID 4746249) is N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1[nH]c2ccccc2[nH+]1.
What is the InChIKey of N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is IKJKJZMTPNPCSL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11N3O2/c1-8-9(6-7-18-8)12(17)16-13-14-10-4-2-3-5-11(10)15-13/h2-7H,1H3,(H2,14,15,16,17)/p+1.
What are the key properties of N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide?
N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 242.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-3-ium-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 4746249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).