(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole

C15H17N3 — CID 118314581

IUPAC(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
SMILESCc1cnccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C15H17N3/c1-11-10-16-9-8-13(11)18-12(2)17(3)14-6-4-5-7-15(14)18/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyCAIXDBNTHAXEPN-LBPRGKRZSA-N
MW239.32 g/mol
LogP3.32
Rot. Bonds1

About (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole

(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole (PubChem CID 118314581) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
PubChem CID118314581
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
SMILESCc1cnccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C15H17N3/c1-11-10-16-9-8-13(11)18-12(2)17(3)14-6-4-5-7-15(14)18/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyCAIXDBNTHAXEPN-LBPRGKRZSA-N
XLogP3.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole?
The IUPAC name of (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole (CID 118314581) is (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole?
The canonical SMILES for (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole is Cc1cnccc1N1c2ccccc2N(C)[C@@H]1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole?
The InChIKey is CAIXDBNTHAXEPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-10-16-9-8-13(11)18-12(2)17(3)14-6-4-5-7-15(14)18/h4-10,12H,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole?
(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole has a molecular weight of 239.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole is sourced from PubChem (CID 118314581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).