2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone

C21H25N5O — CID 136528813

IUPAC2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCc2cnc(C(C)C)nc2C1
InChIInChI=1S/C21H25N5O/c1-4-19-23-16-7-5-6-8-18(16)26(19)13-20(27)25-10-9-15-11-22-21(14(2)3)24-17(15)12-25/h5-8,11,14H,4,9-10,12-13H2,1-3H3
InChIKeyXAMVOTAMWXIJRE-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.10
Rot. Bonds4

About 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone

2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone (PubChem CID 136528813) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
PubChem CID136528813
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCc2cnc(C(C)C)nc2C1
InChIInChI=1S/C21H25N5O/c1-4-19-23-16-7-5-6-8-18(16)26(19)13-20(27)25-10-9-15-11-22-21(14(2)3)24-17(15)12-25/h5-8,11,14H,4,9-10,12-13H2,1-3H3
InChIKeyXAMVOTAMWXIJRE-UHFFFAOYSA-N
XLogP3.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92589272
2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
2-(2-ethylbenzimidazol-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51219854
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanone
CID 60975590
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129475210
2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 136524686
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(2-methylbenzimidazol-1-yl)ethanone
CID 170505373
1-[4-(2-methylpropyl)piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 134061307

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone (CID 136528813) is 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone is CCc1nc2ccccc2n1CC(=O)N1CCc2cnc(C(C)C)nc2C1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The InChIKey is XAMVOTAMWXIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-19-23-16-7-5-6-8-18(16)26(19)13-20(27)25-10-9-15-11-22-21(14(2)3)24-17(15)12-25/h5-8,11,14H,4,9-10,12-13H2,1-3H3.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone has a molecular weight of 363.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-1-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone is sourced from PubChem (CID 136528813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).