3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide

C10H12N4O2 — CID 66831552

IUPAC3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide
SMILESNCCn1c(=O)[nH]c2ccc(C(N)=O)cc21
InChIInChI=1S/C10H12N4O2/c11-3-4-14-8-5-6(9(12)15)1-2-7(8)13-10(14)16/h1-2,5H,3-4,11H2,(H2,12,15)(H,13,16)
InChIKeyFRSYLCMQMPHITE-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.61
Rot. Bonds3

About 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide

3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 66831552) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID66831552
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide
SMILESNCCn1c(=O)[nH]c2ccc(C(N)=O)cc21
InChIInChI=1S/C10H12N4O2/c11-3-4-14-8-5-6(9(12)15)1-2-7(8)13-10(14)16/h1-2,5H,3-4,11H2,(H2,12,15)(H,13,16)
InChIKeyFRSYLCMQMPHITE-UHFFFAOYSA-N
XLogP-0.61
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831509
3-(2-aminoethyl)-N-benzyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831579
3-(2-aminoethyl)-N-(3,3-dihydroxy-2-phenylpropyl)-2-oxo-1H-benzimidazole-5-carboxamide
CID 140579042
3-(2-aminoethyl)-5-methylsulfonyl-1H-benzimidazol-2-one
CID 66831544
5-acetyl-3-hexyl-1H-benzimidazol-2-one
CID 101435534
2-oxo-3-(3,3,3-trifluoropropyl)-1H-benzimidazole-5-carboxylic acid
CID 82783777
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 106336998
3-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 158875764
2-(6-chloro-2-oxo-3H-benzimidazol-1-yl)acetic acid
CID 10704472
3-[(1-methylpyrazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82873640

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide (CID 66831552) is 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide is NCCn1c(=O)[nH]c2ccc(C(N)=O)cc21.
What is the InChIKey of 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is FRSYLCMQMPHITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-3-4-14-8-5-6(9(12)15)1-2-7(8)13-10(14)16/h1-2,5H,3-4,11H2,(H2,12,15)(H,13,16).
What are the key properties of 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide?
3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 220.23 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66831552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).