4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid

C7H12N4O2 — CID 172863276

IUPAC4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid
SMILESC1=NCCN1.O=C(O)N1C=NCC1
InChIInChI=1S/C4H6N2O2.C3H6N2/c7-4(8)6-2-1-5-3-6;1-2-5-3-4-1/h3H,1-2H2,(H,7,8);3H,1-2H2,(H,4,5)
InChIKeyZQJOUSFHDYLMMR-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.37
Rot. Bonds

About 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid

4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 172863276) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid
PubChem CID172863276
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid
SMILESC1=NCCN1.O=C(O)N1C=NCC1
InChIInChI=1S/C4H6N2O2.C3H6N2/c7-4(8)6-2-1-5-3-6;1-2-5-3-4-1/h3H,1-2H2,(H,7,8);3H,1-2H2,(H,4,5)
InChIKeyZQJOUSFHDYLMMR-UHFFFAOYSA-N
XLogP-0.37
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22292720
Imidazolinium bicarbonate
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carbonic acid;4,5-dihydro-1H-imidazole
CID 23171612
bis(4,5-dihydro-1H-imidazol-1-ium);carbonate
CID 139681264
4,5-dihydro-1H-imidazol-1-ium;4,5-dihydroimidazol-1-ium-1,1-dicarboxylate
CID 140333110
carbamic acid;4,5-dihydro-1H-imidazole
CID 162035766
2-(4,5-dihydro-1H-imidazol-2-ylamino)ethylcarbamic acid
CID 169712796
5-(Carbamoylamino)-4,5-dihydroimidazole-1-carboxylic acid
CID 172757704
Azane;4,5-dihydroimidazole-1-carboxylic acid
CID 172811779

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid (CID 172863276) is 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid is C1=NCCN1.O=C(O)N1C=NCC1.
What is the InChIKey of 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is ZQJOUSFHDYLMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C3H6N2/c7-4(8)6-2-1-5-3-6;1-2-5-3-4-1/h3H,1-2H2,(H,7,8);3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid?
4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid has a molecular weight of 184.20 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 172863276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).