(2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride

C9H10ClN3O2 — CID 70580441

IUPAC(2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride
SMILESCC1(NC(=O)O)N=c2ccccc2=N1.Cl
InChIInChI=1S/C9H9N3O2.ClH/c1-9(12-8(13)14)10-6-4-2-3-5-7(6)11-9;/h2-5,12H,1H3,(H,13,14);1H
InChIKeyACCDRYXLNDGKJP-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.30
Rot. Bonds1

About (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride

(2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride (PubChem CID 70580441) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name(2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride
PubChem CID70580441
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name(2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride
SMILESCC1(NC(=O)O)N=c2ccccc2=N1.Cl
InChIInChI=1S/C9H9N3O2.ClH/c1-9(12-8(13)14)10-6-4-2-3-5-7(6)11-9;/h2-5,12H,1H3,(H,13,14);1H
InChIKeyACCDRYXLNDGKJP-UHFFFAOYSA-N
XLogP0.30
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride?
The IUPAC name of (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride (CID 70580441) is (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride.
What is the SMILES notation for (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride?
The canonical SMILES for (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride is CC1(NC(=O)O)N=c2ccccc2=N1.Cl.
What is the InChIKey of (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride?
The InChIKey is ACCDRYXLNDGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2.ClH/c1-9(12-8(13)14)10-6-4-2-3-5-7(6)11-9;/h2-5,12H,1H3,(H,13,14);1H.
What are the key properties of (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride?
(2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride has a molecular weight of 227.65 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride is sourced from PubChem (CID 70580441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).