2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole

C17H16N2 — CID 11448029

IUPAC2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
SMILESc1ccc2c(c1)CCC(c1nc3ccccc3[nH]1)C2
InChIInChI=1S/C17H16N2/c1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17/h1-8,14H,9-11H2,(H,18,19)
InChIKeyXDLMWQUQXKOOQE-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.84
Rot. Bonds1

About 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole (PubChem CID 11448029) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
PubChem CID11448029
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
SMILESc1ccc2c(c1)CCC(c1nc3ccccc3[nH]1)C2
InChIInChI=1S/C17H16N2/c1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17/h1-8,14H,9-11H2,(H,18,19)
InChIKeyXDLMWQUQXKOOQE-UHFFFAOYSA-N
XLogP3.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol
CID 107126998
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-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole
CID 170908536
6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
CID 106478570
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481775
2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole
CID 141390668
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one
CID 65406952
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole (CID 11448029) is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole is c1ccc2c(c1)CCC(c1nc3ccccc3[nH]1)C2.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole?
The InChIKey is XDLMWQUQXKOOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17/h1-8,14H,9-11H2,(H,18,19).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole?
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole has a molecular weight of 248.33 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 11448029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).