6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole

C12H12FN3 — CID 59556823

IUPAC6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(Cc1ncc[nH]1)CC2
InChIInChI=1S/C12H12FN3/c13-10-2-1-9-3-6-16(11(9)7-10)8-12-14-4-5-15-12/h1-2,4-5,7H,3,6,8H2,(H,14,15)
InChIKeyOBQQIQUVBBOBQJ-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.11
Rot. Bonds2

About 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole

6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole (PubChem CID 59556823) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole
PubChem CID59556823
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(Cc1ncc[nH]1)CC2
InChIInChI=1S/C12H12FN3/c13-10-2-1-9-3-6-16(11(9)7-10)8-12-14-4-5-15-12/h1-2,4-5,7H,3,6,8H2,(H,14,15)
InChIKeyOBQQIQUVBBOBQJ-UHFFFAOYSA-N
XLogP2.11
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline
CID 59556813
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
[6-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-pyridinyl]methanamine
CID 103503145
1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
CID 24896448
6-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 103497168
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine
CID 103502277
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
11-(1H-imidazol-2-ylmethyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 70410822
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 106269290
7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
CID 173112621
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103504803

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole (CID 59556823) is 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole is Fc1ccc2c(c1)N(Cc1ncc[nH]1)CC2.
What is the InChIKey of 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole?
The InChIKey is OBQQIQUVBBOBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-10-2-1-9-3-6-16(11(9)7-10)8-12-14-4-5-15-12/h1-2,4-5,7H,3,6,8H2,(H,14,15).
What are the key properties of 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole?
6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole has a molecular weight of 217.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 59556823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).