2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one

C16H19N3O — CID 167089762

IUPAC2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c([C@H](C)CC)[nH]c2nc3ccccc3n2c1=O
InChIInChI=1S/C16H19N3O/c1-4-10(3)14-11(5-2)15(20)19-13-9-7-6-8-12(13)17-16(19)18-14/h6-10H,4-5H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyKWRNTYYGWQUJGH-SNVBAGLBSA-N
MW269.35 g/mol
LogP3.25
Rot. Bonds3

About 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one

2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 167089762) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one
PubChem CID167089762
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c([C@H](C)CC)[nH]c2nc3ccccc3n2c1=O
InChIInChI=1S/C16H19N3O/c1-4-10(3)14-11(5-2)15(20)19-13-9-7-6-8-12(13)17-16(19)18-14/h6-10H,4-5H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyKWRNTYYGWQUJGH-SNVBAGLBSA-N
XLogP3.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-butan-2-yl]-3-(2,2,2-trifluoroethyl)-1H-pyrimido[1,2-a]benzimidazol-4-one
CID 167089740
1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,11(15)-pentaen-16-one
CID 614507
3-benzyl-4-hydroxy-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 135441421
4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 135616216
4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 135633323
6-benzyl-2,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),11,13,15-pentaen-9-one
CID 617507
2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
CID 17035842
3-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 135425445
6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one
CID 166788912
3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035823
(2S)-N-ethyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 41040982
(2R)-N-ethyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 41040981

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one (CID 167089762) is 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one is CCc1c([C@H](C)CC)[nH]c2nc3ccccc3n2c1=O.
What is the InChIKey of 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is KWRNTYYGWQUJGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-10(3)14-11(5-2)15(20)19-13-9-7-6-8-12(13)17-16(19)18-14/h6-10H,4-5H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 269.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 167089762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).