1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one

C14H13N3O — CID 70390739

IUPAC1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one
SMILESO=C(Cc1cc2ccccc2[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C14H13N3O/c18-12(9-14-15-5-6-16-14)8-11-7-10-3-1-2-4-13(10)17-11/h1-7,17H,8-9H2,(H,15,16)
InChIKeyOISNZXGDUGEMCW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.25
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one

1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one (PubChem CID 70390739) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one
PubChem CID70390739
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one
SMILESO=C(Cc1cc2ccccc2[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C14H13N3O/c18-12(9-14-15-5-6-16-14)8-11-7-10-3-1-2-4-13(10)17-11/h1-7,17H,8-9H2,(H,15,16)
InChIKeyOISNZXGDUGEMCW-UHFFFAOYSA-N
XLogP2.25
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 64547030
ethanol;2-(1H-indol-2-yl)acetic acid
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N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide
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1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one
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N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
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N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126
methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
CID 68733352
1H-indol-2-ylmethylcarbamic acid
CID 68691362
4-(1H-indol-2-yl)butan-2-one
CID 10954278
2-azaniumyl-3-(1H-indol-2-yl)propanoate
CID 23278059
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one (CID 70390739) is 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one is O=C(Cc1cc2ccccc2[nH]1)Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one?
The InChIKey is OISNZXGDUGEMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-12(9-14-15-5-6-16-14)8-11-7-10-3-1-2-4-13(10)17-11/h1-7,17H,8-9H2,(H,15,16).
What are the key properties of 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one?
1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one is sourced from PubChem (CID 70390739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).