4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride

C8H11ClN2O2 — CID 53231037

IUPAC4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCc2[nH]cnc21
InChIInChI=1S/C8H10N2O2.ClH/c11-8(12)5-2-1-3-6-7(5)10-4-9-6;/h4-5H,1-3H2,(H,9,10)(H,11,12);1H
InChIKeyBZSFLKGWGMJLBI-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.34
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride

4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride (PubChem CID 53231037) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride
PubChem CID53231037
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCc2[nH]cnc21
InChIInChI=1S/C8H10N2O2.ClH/c11-8(12)5-2-1-3-6-7(5)10-4-9-6;/h4-5H,1-3H2,(H,9,10)(H,11,12);1H
InChIKeyBZSFLKGWGMJLBI-UHFFFAOYSA-N
XLogP1.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride (CID 53231037) is 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCc2[nH]cnc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride?
The InChIKey is BZSFLKGWGMJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c11-8(12)5-2-1-3-6-7(5)10-4-9-6;/h4-5H,1-3H2,(H,9,10)(H,11,12);1H.
What are the key properties of 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride?
4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 53231037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).