[3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite

C10H10ClN3O — CID 67421110

IUPAC[3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite
SMILESNC(c1cccc(OCl)c1)c1ncc[nH]1
InChIInChI=1S/C10H10ClN3O/c11-15-8-3-1-2-7(6-8)9(12)10-13-4-5-14-10/h1-6,9H,12H2,(H,13,14)
InChIKeyRXGBJOLADJCQAZ-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.99
Rot. Bonds3

About [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite

[3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite (PubChem CID 67421110) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite.

Molecular Properties

Compound Name[3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite
PubChem CID67421110
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite
SMILESNC(c1cccc(OCl)c1)c1ncc[nH]1
InChIInChI=1S/C10H10ClN3O/c11-15-8-3-1-2-7(6-8)9(12)10-13-4-5-14-10/h1-6,9H,12H2,(H,13,14)
InChIKeyRXGBJOLADJCQAZ-UHFFFAOYSA-N
XLogP1.99
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67419097
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(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine
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3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal
CID 88837166
2-(1H-imidazol-2-yl)-2-naphthalen-2-ylethanamine
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(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 61080490
1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine
CID 116835166
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
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(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite?
The IUPAC name of [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite (CID 67421110) is [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite.
What is the SMILES notation for [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite?
The canonical SMILES for [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite is NC(c1cccc(OCl)c1)c1ncc[nH]1.
What is the InChIKey of [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite?
The InChIKey is RXGBJOLADJCQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-15-8-3-1-2-7(6-8)9(12)10-13-4-5-14-10/h1-6,9H,12H2,(H,13,14).
What are the key properties of [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite?
[3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite has a molecular weight of 223.66 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino(1H-imidazol-2-yl)methyl]phenyl] hypochlorite is sourced from PubChem (CID 67421110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).