1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one

C14H14ClN3O — CID 136535445

IUPAC1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C14H14ClN3O/c15-12-2-1-3-13-11(12)6-7-18(13)14(19)5-4-10-8-16-9-17-10/h1-3,8-9H,4-7H2,(H,16,17)
InChIKeyBULQVDQNBIIPHU-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one

1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one (PubChem CID 136535445) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
PubChem CID136535445
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C14H14ClN3O/c15-12-2-1-3-13-11(12)6-7-18(13)14(19)5-4-10-8-16-9-17-10/h1-3,8-9H,4-7H2,(H,16,17)
InChIKeyBULQVDQNBIIPHU-UHFFFAOYSA-N
XLogP2.59
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one (CID 136535445) is 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one is O=C(CCc1cnc[nH]1)N1CCc2c(Cl)cccc21.
What is the InChIKey of 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one?
The InChIKey is BULQVDQNBIIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-12-2-1-3-13-11(12)6-7-18(13)14(19)5-4-10-8-16-9-17-10/h1-3,8-9H,4-7H2,(H,16,17).
What are the key properties of 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one?
1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one has a molecular weight of 275.74 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dihydroindol-1-yl)-3-(1H-imidazol-5-yl)propan-1-one is sourced from PubChem (CID 136535445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).