2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide

C8H11N3O — CID 70369717

IUPAC2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide
SMILESNC(=O)C1=CC=C2NCNC2C1
InChIInChI=1S/C8H11N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-2,7,10-11H,3-4H2,(H2,9,12)
InChIKeyHGCGXKZUKLKGSW-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.80
Rot. Bonds1

About 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide

2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide (PubChem CID 70369717) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide
PubChem CID70369717
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide
SMILESNC(=O)C1=CC=C2NCNC2C1
InChIInChI=1S/C8H11N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-2,7,10-11H,3-4H2,(H2,9,12)
InChIKeyHGCGXKZUKLKGSW-UHFFFAOYSA-N
XLogP-0.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide;hydrochloride
CID 70369716
4-(1-Methyl-2-oxo-3-pyridinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 141503559
N-ethyl-2-[[(5Z)-5-ethylidene-1,3-dimethylimidazolidin-4-yl]methyl]prop-2-enamide
CID 169939115
2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide
CID 70369715

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide (CID 70369717) is 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide is NC(=O)C1=CC=C2NCNC2C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide?
The InChIKey is HGCGXKZUKLKGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-2,7,10-11H,3-4H2,(H2,9,12).
What are the key properties of 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide?
2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide has a molecular weight of 165.20 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70369717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).