1-benzyl-5-cyclopropylimidazole-2-carboxylic acid

C14H14N2O2 — CID 163213909

IUPAC1-benzyl-5-cyclopropylimidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(C2CC2)n1Cc1ccccc1
InChIInChI=1S/C14H14N2O2/c17-14(18)13-15-8-12(11-6-7-11)16(13)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,17,18)
InChIKeyBUFSTLRXNJYVJX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.51
Rot. Bonds4

About 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid

1-benzyl-5-cyclopropylimidazole-2-carboxylic acid (PubChem CID 163213909) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-cyclopropylimidazole-2-carboxylic acid
PubChem CID163213909
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-benzyl-5-cyclopropylimidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(C2CC2)n1Cc1ccccc1
InChIInChI=1S/C14H14N2O2/c17-14(18)13-15-8-12(11-6-7-11)16(13)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,17,18)
InChIKeyBUFSTLRXNJYVJX-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylimidazole-2-carboxylic Acid
CID 1236690
Methyl 1-(phenylmethyl)-1H-imidazole-5-carboxylate
CID 96879
1-Benzyl-5-hydroxymethyl-1H-imidazole
CID 2773235
5-Methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
CID 84015978
1-[4-(Trifluoromethyl)benzyl]-1H-imidazole-2-carboxylic acid
CID 86276970
5-Butyl-methyl immidazole carboxylate 30
CID 73755250
2-(4,5-Diphenyl-1H-imidazol-1-yl)acetic acid
CID 21545764
1-(Pyridin-4-ylmethyl)-1H-imidazole-2-carboxylic acid
CID 86276926
1-[(4-Cyanophenyl)methyl]imidazole-2-carboxylic acid
CID 91437687
1-Benzyl-5-phenylimidazole-2-carboxylic acid
CID 163213894
Desethyl-etomidate
CID 297427
(1-Benzyl-1H-imidazol-2-yl)acetic acid
CID 23043555

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid?
The IUPAC name of 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid (CID 163213909) is 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid?
The canonical SMILES for 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid is O=C(O)c1ncc(C2CC2)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid?
The InChIKey is BUFSTLRXNJYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)13-15-8-12(11-6-7-11)16(13)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,17,18).
What are the key properties of 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid?
1-benzyl-5-cyclopropylimidazole-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-cyclopropylimidazole-2-carboxylic acid is sourced from PubChem (CID 163213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).