2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole

C12H12N2O — CID 97302638

IUPAC2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole
SMILESC1=CO[C@H](c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C12H12N2O/c1-2-6-10-9(5-1)13-12(14-10)11-7-3-4-8-15-11/h1-2,4-6,8,11H,3,7H2,(H,13,14)/t11-/m0/s1
InChIKeySQVBRGASLQURQV-NSHDSACASA-N
MW200.24 g/mol
LogP2.93
Rot. Bonds1

About 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole

2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole (PubChem CID 97302638) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole
PubChem CID97302638
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole
SMILESC1=CO[C@H](c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C12H12N2O/c1-2-6-10-9(5-1)13-12(14-10)11-7-3-4-8-15-11/h1-2,4-6,8,11H,3,7H2,(H,13,14)/t11-/m0/s1
InChIKeySQVBRGASLQURQV-NSHDSACASA-N
XLogP2.93
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123293711
2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole
CID 15423365
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
(1R)-2-(1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 175378525
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
CID 11448029
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CID 131870823
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 144805141
2-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazole
CID 170908536
3-(1H-benzimidazol-2-yl)cyclohexan-1-one
CID 142693354
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole
CID 141390668

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole (CID 97302638) is 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole is C1=CO[C@H](c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole?
The InChIKey is SQVBRGASLQURQV-NSHDSACASA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-6-10-9(5-1)13-12(14-10)11-7-3-4-8-15-11/h1-2,4-6,8,11H,3,7H2,(H,13,14)/t11-/m0/s1.
What are the key properties of 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole?
2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole has a molecular weight of 200.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole is sourced from PubChem (CID 97302638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).