2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole

C16H13FN2 — CID 106893168

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc2[nH]c(C3Cc4ccccc4C3)nc12
InChIInChI=1S/C16H13FN2/c17-13-6-3-7-14-15(13)19-16(18-14)12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H,18,19)
InChIKeyWNTSMFZTRDAIRY-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.58
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole

2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole (PubChem CID 106893168) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole
PubChem CID106893168
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc2[nH]c(C3Cc4ccccc4C3)nc12
InChIInChI=1S/C16H13FN2/c17-13-6-3-7-14-15(13)19-16(18-14)12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H,18,19)
InChIKeyWNTSMFZTRDAIRY-UHFFFAOYSA-N
XLogP3.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
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CID 80596390
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
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CID 171359733
4-fluoro-1H-benzimidazole-2-carbonitrile
CID 83433358
4-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81448504
2-cyclopropyl-4-ethyl-1H-benzimidazole
CID 91216645
2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine
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4-fluoro-1H-benzimidazole-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole (CID 106893168) is 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole is Fc1cccc2[nH]c(C3Cc4ccccc4C3)nc12.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole?
The InChIKey is WNTSMFZTRDAIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-13-6-3-7-14-15(13)19-16(18-14)12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole?
2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole has a molecular weight of 252.29 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 106893168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).