3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one

C24H21N3O — CID 17035823

IUPAC3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C)n(Cc2cccc3ccccc23)c2nc3ccccc3n2c1=O
InChIInChI=1S/C24H21N3O/c1-3-19-16(2)26(15-18-11-8-10-17-9-4-5-12-20(17)18)24-25-21-13-6-7-14-22(21)27(24)23(19)28/h4-14H,3,15H2,1-2H3
InChIKeyCFZYAUYJGHBELY-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.72
Rot. Bonds3

About 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one

3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 17035823) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
PubChem CID17035823
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C)n(Cc2cccc3ccccc23)c2nc3ccccc3n2c1=O
InChIInChI=1S/C24H21N3O/c1-3-19-16(2)26(15-18-11-8-10-17-9-4-5-12-20(17)18)24-25-21-13-6-7-14-22(21)27(24)23(19)28/h4-14H,3,15H2,1-2H3
InChIKeyCFZYAUYJGHBELY-UHFFFAOYSA-N
XLogP4.72
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
CID 17035842
3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035845
3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 17035851
N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
CID 17035867
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18811357
1-(naphthalen-1-ylmethyl)quinoxalin-2-one
CID 9369622
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420
ethyl 4-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]amino]-4-oxobutanoate
CID 139890877
(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 25345296
9-ethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 118440323

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one (CID 17035823) is 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one is CCc1c(C)n(Cc2cccc3ccccc23)c2nc3ccccc3n2c1=O.
What is the InChIKey of 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is CFZYAUYJGHBELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-3-19-16(2)26(15-18-11-8-10-17-9-4-5-12-20(17)18)24-25-21-13-6-7-14-22(21)27(24)23(19)28/h4-14H,3,15H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one?
3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 367.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 17035823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).