(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid

C11H11ClN4O2 — CID 67499797

IUPAC(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)n1cc(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H11ClN4O2/c1-2-15(11(17)18)16-7-9(14-10(16)12)8-4-3-5-13-6-8/h3-7H,2H2,1H3,(H,17,18)
InChIKeyHOIOJWJNJRRZOA-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.23
Rot. Bonds3

About (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid

(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid (PubChem CID 67499797) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid.

Molecular Properties

Compound Name(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid
PubChem CID67499797
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)n1cc(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H11ClN4O2/c1-2-15(11(17)18)16-7-9(14-10(16)12)8-4-3-5-13-6-8/h3-7H,2H2,1H3,(H,17,18)
InChIKeyHOIOJWJNJRRZOA-UHFFFAOYSA-N
XLogP2.23
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid
CID 174738677
N,N-diethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166249777
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
1-pentyl-4-pyridin-3-ylimidazol-2-amine
CID 162675846
N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide
CID 67502922
5-acetyl-N,N-diethyl-2-phenyl-4-pyridin-3-ylcyclopenta-1,4-diene-1-carboxamide
CID 159832085
N-(2-ethoxyethyl)-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463120
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
2-(4-chloro-5-methyl-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 150087944
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid?
The IUPAC name of (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid (CID 67499797) is (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid.
What is the SMILES notation for (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid?
The canonical SMILES for (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid is CCN(C(=O)O)n1cc(-c2cccnc2)nc1Cl.
What is the InChIKey of (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid?
The InChIKey is HOIOJWJNJRRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-2-15(11(17)18)16-7-9(14-10(16)12)8-4-3-5-13-6-8/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid?
(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid has a molecular weight of 266.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid is sourced from PubChem (CID 67499797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).