(2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole

C17H15N5 — CID 138747083

IUPAC(2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole
SMILESC[C@@H]1Nc2ccccc2N1c1cccc(-c2ccncn2)n1
InChIInChI=1S/C17H15N5/c1-12-20-15-5-2-3-7-16(15)22(12)17-8-4-6-14(21-17)13-9-10-18-11-19-13/h2-12,20H,1H3/t12-/m1/s1
InChIKeySPLZCZYIAZEUOH-GFCCVEGCSA-N
MW289.34 g/mol
LogP3.45
Rot. Bonds2

About (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole

(2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole (PubChem CID 138747083) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name(2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole
PubChem CID138747083
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name(2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole
SMILESC[C@@H]1Nc2ccccc2N1c1cccc(-c2ccncn2)n1
InChIInChI=1S/C17H15N5/c1-12-20-15-5-2-3-7-16(15)22(12)17-8-4-6-14(21-17)13-9-10-18-11-19-13/h2-12,20H,1H3/t12-/m1/s1
InChIKeySPLZCZYIAZEUOH-GFCCVEGCSA-N
XLogP3.45
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole?
The IUPAC name of (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole (CID 138747083) is (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole.
What is the SMILES notation for (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole?
The canonical SMILES for (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole is C[C@@H]1Nc2ccccc2N1c1cccc(-c2ccncn2)n1.
What is the InChIKey of (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole?
The InChIKey is SPLZCZYIAZEUOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-20-15-5-2-3-7-16(15)22(12)17-8-4-6-14(21-17)13-9-10-18-11-19-13/h2-12,20H,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole?
(2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole has a molecular weight of 289.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(6-pyrimidin-4-yl-2-pyridinyl)-1,2-dihydrobenzimidazole is sourced from PubChem (CID 138747083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).