(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone

C14H14N2O — CID 60660103

IUPAC(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone
SMILESCn1ccnc1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H14N2O/c1-16-10-9-15-13(16)12(17)14(7-8-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyQTNPJQBSXXPSTD-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.33
Rot. Bonds3

About (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone

(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 60660103) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone
PubChem CID60660103
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone
SMILESCn1ccnc1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H14N2O/c1-16-10-9-15-13(16)12(17)14(7-8-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyQTNPJQBSXXPSTD-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone (CID 60660103) is (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone is Cn1ccnc1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is QTNPJQBSXXPSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16-10-9-15-13(16)12(17)14(7-8-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone?
(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 60660103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).