N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide

C10H10N4O2 — CID 43400555

IUPACN-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)CNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H10N4O2/c11-9(15)4-12-10(16)6-1-2-7-8(3-6)14-5-13-7/h1-3,5H,4H2,(H2,11,15)(H,12,16)(H,13,14)
InChIKeyGIQJZJJYGDJJOD-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.22
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide

N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 43400555) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
PubChem CID43400555
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC NameN-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)CNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H10N4O2/c11-9(15)4-12-10(16)6-1-2-7-8(3-6)14-5-13-7/h1-3,5H,4H2,(H2,11,15)(H,12,16)(H,13,14)
InChIKeyGIQJZJJYGDJJOD-UHFFFAOYSA-N
XLogP-0.22
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-(2-aminobutyl)-3H-benzimidazole-5-carboxamide
CID 63731791
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
3-(3H-benzimidazole-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166620
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-[(3-hydroxythiolan-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 111698305
2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid
CID 63913822

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide (CID 43400555) is N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide is NC(=O)CNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is GIQJZJJYGDJJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-9(15)4-12-10(16)6-1-2-7-8(3-6)14-5-13-7/h1-3,5H,4H2,(H2,11,15)(H,12,16)(H,13,14).
What are the key properties of N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide?
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 218.22 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43400555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).