2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide

C8H11N3O — CID 70369715

IUPAC2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide
SMILESNC(=O)C1=CC2NCNC2C=C1
InChIInChI=1S/C8H11N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3,6-7,10-11H,4H2,(H2,9,12)
InChIKeySQFDJUOSMFKUCF-UHFFFAOYSA-N
MW165.20 g/mol
LogP-1.14
Rot. Bonds1

About 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide

2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide (PubChem CID 70369715) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide
PubChem CID70369715
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide
SMILESNC(=O)C1=CC2NCNC2C=C1
InChIInChI=1S/C8H11N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3,6-7,10-11H,4H2,(H2,9,12)
InChIKeySQFDJUOSMFKUCF-UHFFFAOYSA-N
XLogP-1.14
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 ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide;hydrochloride
CID 70369714
4-(Carbamoylamino)cyclohexa-1,5-diene-1-carboxamide
CID 130456376
4-(Methylcarbamoylamino)cyclohexa-1,5-diene-1-carboxamide
CID 135195539
1,2,3,5-Tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
CID 139706457
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide;trihydrochloride
CID 140995615
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide
CID 140995616
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide;dihydrochloride
CID 140995619
1,2,3,3a,4,5-Hexahydroimidazo[4,5-g]quinolin-6-one
CID 154150540
4-(5,6-Dimethyl-1,3,3a,7a-tetrahydrobenzimidazol-2-ylidene)hex-2-enal
CID 164001878
1,2,3,5-Tetrahydroimidazo[1,5-a]pyridine-8-carboxamide
CID 175520519
2,3,3a,4-tetrahydro-1H-benzimidazole-5-carboxamide
CID 70369717
8-(1-aminoethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 112489371

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide (CID 70369715) is 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide is NC(=O)C1=CC2NCNC2C=C1.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide?
The InChIKey is SQFDJUOSMFKUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3,6-7,10-11H,4H2,(H2,9,12).
What are the key properties of 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide?
2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide has a molecular weight of 165.20 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70369715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).