2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H25N5O — CID 135946083

IUPAC2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)n1c(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)nc2ccccc21
InChIInChI=1S/C24H25N5O/c1-16(2)29-21-11-7-6-10-20(21)25-22(29)15-28-13-12-19-18(14-28)24(30)27-23(26-19)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,27,30)
InChIKeyGFLDMQGBWABNEW-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.93
Rot. Bonds4

About 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946083) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946083
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)n1c(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)nc2ccccc21
InChIInChI=1S/C24H25N5O/c1-16(2)29-21-11-7-6-10-20(21)25-22(29)15-28-13-12-19-18(14-28)24(30)27-23(26-19)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,27,30)
InChIKeyGFLDMQGBWABNEW-UHFFFAOYSA-N
XLogP3.93
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946081
2-phenyl-6-[(1-propylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944603
2-(4-aminophenyl)-6-[(1-ethylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942735
6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24922039
6-[(1-ethylbenzimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942736
6-[(2-ethylphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917731
2-phenyl-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920104
6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946543
6-[(1-methylbenzimidazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862296
6-[(2,6-dimethoxyphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917331
6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943723
6-[(2-methyl-3-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947816

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946083) is 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)n1c(CN2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)nc2ccccc21.
What is the InChIKey of 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GFLDMQGBWABNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16(2)29-21-11-7-6-10-20(21)25-22(29)15-28-13-12-19-18(14-28)24(30)27-23(26-19)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,27,30).
What are the key properties of 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 399.50 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).