2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride

C9H9ClN2O2 — CID 3046610

IUPAC2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C9H8N2O2.ClH/c12-9(13)4-6-1-2-7-8(3-6)11-5-10-7;/h1-3,5H,4H2,(H,10,11)(H,12,13);1H
InChIKeyYKGBJBDUKMJDOH-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.61
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride

2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride (PubChem CID 3046610) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
PubChem CID3046610
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C9H8N2O2.ClH/c12-9(13)4-6-1-2-7-8(3-6)11-5-10-7;/h1-3,5H,4H2,(H,10,11)(H,12,13);1H
InChIKeyYKGBJBDUKMJDOH-UHFFFAOYSA-N
XLogP1.61
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
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2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
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4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
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CID 139795437

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride (CID 3046610) is 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride is Cl.O=C(O)Cc1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride?
The InChIKey is YKGBJBDUKMJDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.ClH/c12-9(13)4-6-1-2-7-8(3-6)11-5-10-7;/h1-3,5H,4H2,(H,10,11)(H,12,13);1H.
What are the key properties of 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride?
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride has a molecular weight of 212.64 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride is sourced from PubChem (CID 3046610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).