[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid

C11H9Cl2N3O2 — CID 143516405

IUPAC[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
SMILESO=C(O)NCc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C11H9Cl2N3O2/c12-7-2-1-6(3-8(7)13)9-4-14-10(16-9)5-15-11(17)18/h1-4,15H,5H2,(H,14,16)(H,17,18)
InChIKeyMTCWYUBYTYEJGQ-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.15
Rot. Bonds3

About [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid

[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid (PubChem CID 143516405) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
PubChem CID143516405
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
SMILESO=C(O)NCc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C11H9Cl2N3O2/c12-7-2-1-6(3-8(7)13)9-4-14-10(16-9)5-15-11(17)18/h1-4,15H,5H2,(H,14,16)(H,17,18)
InChIKeyMTCWYUBYTYEJGQ-UHFFFAOYSA-N
XLogP3.15
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid?
The IUPAC name of [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid (CID 143516405) is [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid.
What is the SMILES notation for [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid?
The canonical SMILES for [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid is O=C(O)NCc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1.
What is the InChIKey of [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid?
The InChIKey is MTCWYUBYTYEJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c12-7-2-1-6(3-8(7)13)9-4-14-10(16-9)5-15-11(17)18/h1-4,15H,5H2,(H,14,16)(H,17,18).
What are the key properties of [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid?
[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid has a molecular weight of 286.12 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid is sourced from PubChem (CID 143516405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).