N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide

C12H14N4O2 — CID 43397895

IUPACN-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H14N4O2/c1-8(17)13-4-5-14-12(18)9-2-3-10-11(6-9)16-7-15-10/h2-3,6-7H,4-5H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyLXUMWLSEXRUTNN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.43
Rot. Bonds4

About N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide

N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 43397895) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
PubChem CID43397895
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H14N4O2/c1-8(17)13-4-5-14-12(18)9-2-3-10-11(6-9)16-7-15-10/h2-3,6-7H,4-5H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyLXUMWLSEXRUTNN-UHFFFAOYSA-N
XLogP0.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541140
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541335

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide (CID 43397895) is N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide is CC(=O)NCCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is LXUMWLSEXRUTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(17)13-4-5-14-12(18)9-2-3-10-11(6-9)16-7-15-10/h2-3,6-7H,4-5H2,1H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide?
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43397895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).