2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol

C17H16N2O — CID 107126998

IUPAC2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(C3CCc4ccccc4C3)[nH]c2c1
InChIInChI=1S/C17H16N2O/c20-14-7-8-15-16(10-14)19-17(18-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,18,19)
InChIKeyAHXWXHNOUMONFG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.54
Rot. Bonds1

About 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol (PubChem CID 107126998) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol
PubChem CID107126998
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(C3CCc4ccccc4C3)[nH]c2c1
InChIInChI=1S/C17H16N2O/c20-14-7-8-15-16(10-14)19-17(18-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,18,19)
InChIKeyAHXWXHNOUMONFG-UHFFFAOYSA-N
XLogP3.54
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
CID 11448029
2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
CID 81432165
6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
CID 106478570
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one
CID 65406952
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
CID 25157552
3-(1H-benzimidazol-2-yl)cyclohexan-1-one
CID 142693354
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
CID 63590184
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
CID 155947898
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481775
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
CID 106478316
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol (CID 107126998) is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol is Oc1ccc2nc(C3CCc4ccccc4C3)[nH]c2c1.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol?
The InChIKey is AHXWXHNOUMONFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-14-7-8-15-16(10-14)19-17(18-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,18,19).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol?
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol has a molecular weight of 264.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 107126998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).