6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole

C18H19N5 — CID 165396571

IUPAC6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc4nc[nH]c4c3)n1)CCC2
InChIInChI=1S/C18H19N5/c1-11-7-8-23(11)18-21-14-4-2-3-13(14)17(22-18)12-5-6-15-16(9-12)20-10-19-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyQUWFCIWAISODDF-NSHDSACASA-N
MW305.38 g/mol
LogP3.11
Rot. Bonds2

About 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole

6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole (PubChem CID 165396571) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole
PubChem CID165396571
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc4nc[nH]c4c3)n1)CCC2
InChIInChI=1S/C18H19N5/c1-11-7-8-23(11)18-21-14-4-2-3-13(14)17(22-18)12-5-6-15-16(9-12)20-10-19-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyQUWFCIWAISODDF-NSHDSACASA-N
XLogP3.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole?
The IUPAC name of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole (CID 165396571) is 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole is C[C@H]1CCN1c1nc2c(c(-c3ccc4nc[nH]c4c3)n1)CCC2.
What is the InChIKey of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole?
The InChIKey is QUWFCIWAISODDF-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N5/c1-11-7-8-23(11)18-21-14-4-2-3-13(14)17(22-18)12-5-6-15-16(9-12)20-10-19-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole?
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole has a molecular weight of 305.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 165396571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).