2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one

C19H17ClN4O2 — CID 71652884

IUPAC2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
SMILESCOc1c(C)cnc(Cn2c3ccccc3n3c(=O)cc(Cl)nc23)c1C
InChIInChI=1S/C19H17ClN4O2/c1-11-9-21-13(12(2)18(11)26-3)10-23-14-6-4-5-7-15(14)24-17(25)8-16(20)22-19(23)24/h4-9H,10H2,1-3H3
InChIKeyARZVWFFTBSZHIJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.37
Rot. Bonds3

About 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one

2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 71652884) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
PubChem CID71652884
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
SMILESCOc1c(C)cnc(Cn2c3ccccc3n3c(=O)cc(Cl)nc23)c1C
InChIInChI=1S/C19H17ClN4O2/c1-11-9-21-13(12(2)18(11)26-3)10-23-14-6-4-5-7-15(14)24-17(25)8-16(20)22-19(23)24/h4-9H,10H2,1-3H3
InChIKeyARZVWFFTBSZHIJ-UHFFFAOYSA-N
XLogP3.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 114581943
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 49466355
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one
CID 53201041
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
CID 115679486
5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 66309659
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
CID 24784386
(5S)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 95627431
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[(3-methoxyphenyl)methyl]purin-8-one
CID 87864242
2-[[4-(chloromethyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 62729474
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-7-(4-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53199651
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-[(3-nitrophenyl)methyl]purin-8-one
CID 87665895
[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol
CID 14877893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one (CID 71652884) is 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one is COc1c(C)cnc(Cn2c3ccccc3n3c(=O)cc(Cl)nc23)c1C.
What is the InChIKey of 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is ARZVWFFTBSZHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11-9-21-13(12(2)18(11)26-3)10-23-14-6-4-5-7-15(14)24-17(25)8-16(20)22-19(23)24/h4-9H,10H2,1-3H3.
What are the key properties of 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 368.82 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 71652884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).