2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol

C17H17N3O — CID 80564272

IUPAC2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(C2CNc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H17N3O/c21-10-9-20-16-8-4-3-7-15(16)19-17(20)13-11-18-14-6-2-1-5-12(13)14/h1-8,13,18,21H,9-11H2
InChIKeyWXSSHFCOGNNAEN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.59
Rot. Bonds3

About 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol

2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol (PubChem CID 80564272) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol
PubChem CID80564272
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(C2CNc3ccccc32)nc2ccccc21
InChIInChI=1S/C17H17N3O/c21-10-9-20-16-8-4-3-7-15(16)19-17(20)13-11-18-14-6-2-1-5-12(13)14/h1-8,13,18,21H,9-11H2
InChIKeyWXSSHFCOGNNAEN-UHFFFAOYSA-N
XLogP2.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(2,3-dihydro-1H-indol-3-yl)benzimidazole
CID 80564740
2-(2,3-dihydro-1H-indol-3-yl)-1,7-dimethylbenzimidazole
CID 81456351
2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol
CID 66240074
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
4-(3-methylimidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 114793439
5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596966
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-triazole-3,4-diamine
CID 80566338
2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
CID 720880
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol (CID 80564272) is 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol is OCCn1c(C2CNc3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol?
The InChIKey is WXSSHFCOGNNAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-10-9-20-16-8-4-3-7-15(16)19-17(20)13-11-18-14-6-2-1-5-12(13)14/h1-8,13,18,21H,9-11H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol?
2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol has a molecular weight of 279.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-indol-3-yl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 80564272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).