2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile

C17H13FN4 — CID 170580032

IUPAC2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(NC3CCc4ccc(F)cc43)nc12
InChIInChI=1S/C17H13FN4/c18-12-6-4-10-5-7-14(13(10)8-12)20-17-21-15-3-1-2-11(9-19)16(15)22-17/h1-4,6,8,14H,5,7H2,(H2,20,21,22)
InChIKeyJWXMKUPKACUMGW-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.67
Rot. Bonds2

About 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile

2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile (PubChem CID 170580032) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile
PubChem CID170580032
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(NC3CCc4ccc(F)cc43)nc12
InChIInChI=1S/C17H13FN4/c18-12-6-4-10-5-7-14(13(10)8-12)20-17-21-15-3-1-2-11(9-19)16(15)22-17/h1-4,6,8,14H,5,7H2,(H2,20,21,22)
InChIKeyJWXMKUPKACUMGW-UHFFFAOYSA-N
XLogP3.67
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile (CID 170580032) is 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(NC3CCc4ccc(F)cc43)nc12.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile?
The InChIKey is JWXMKUPKACUMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c18-12-6-4-10-5-7-14(13(10)8-12)20-17-21-15-3-1-2-11(9-19)16(15)22-17/h1-4,6,8,14H,5,7H2,(H2,20,21,22).
What are the key properties of 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile?
2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile has a molecular weight of 292.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 170580032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).