7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride

C9H7ClN2O2 — CID 130780335

IUPAC7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride
SMILESO=C(Cl)c1ccc(CO)c2nc[nH]c12
InChIInChI=1S/C9H7ClN2O2/c10-9(14)6-2-1-5(3-13)7-8(6)12-4-11-7/h1-2,4,13H,3H2,(H,11,12)
InChIKeyOOZQSUFFEOPDFR-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.43
Rot. Bonds2

About 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride

7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride (PubChem CID 130780335) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride.

Molecular Properties

Compound Name7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride
PubChem CID130780335
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride
SMILESO=C(Cl)c1ccc(CO)c2nc[nH]c12
InChIInChI=1S/C9H7ClN2O2/c10-9(14)6-2-1-5(3-13)7-8(6)12-4-11-7/h1-2,4,13H,3H2,(H,11,12)
InChIKeyOOZQSUFFEOPDFR-UHFFFAOYSA-N
XLogP1.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

7-(bromomethyl)-3H-benzimidazole-4-carbonyl chloride
CID 130770630
2-[7-(chloromethyl)-1H-benzimidazol-4-yl]acetic acid
CID 131449389
(7-methoxy-1H-benzimidazol-4-yl)methanol
CID 130983658
4-(hydroxymethyl)naphthalene-1-carbonyl chloride
CID 118835402
2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
4-(chloromethyl)-7-iodo-1H-benzimidazole
CID 130934090
6-(chloromethyl)-1H-benzimidazole-4-carbonyl chloride
CID 130772160
(E)-3-[5-(hydroxymethyl)-1H-benzimidazol-4-yl]prop-2-enoic acid
CID 134613300
2-[7-(bromomethyl)-3H-benzimidazol-4-yl]-2-hydroxyacetic acid
CID 131355216
ethyl 7-bromo-3H-benzimidazole-4-carboxylate
CID 131300267
1-(7-bromo-3H-benzimidazol-4-yl)-2-methylbutan-1-one
CID 176942224
6-sulfanyl-1H-benzimidazole-4-carbonyl chloride
CID 131190477

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride?
The IUPAC name of 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride (CID 130780335) is 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride.
What is the SMILES notation for 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride?
The canonical SMILES for 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride is O=C(Cl)c1ccc(CO)c2nc[nH]c12.
What is the InChIKey of 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride?
The InChIKey is OOZQSUFFEOPDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-9(14)6-2-1-5(3-13)7-8(6)12-4-11-7/h1-2,4,13H,3H2,(H,11,12).
What are the key properties of 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride?
7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride has a molecular weight of 210.62 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride is sourced from PubChem (CID 130780335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).