1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one

C17H20N6O — CID 22433058

IUPAC1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Nc3cc(N4CCCC4)ncn3)ccc21
InChIInChI=1S/C17H20N6O/c1-21-13-6-5-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-7-3-4-8-23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeySAHAOOPSXBQUMI-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.01
Rot. Bonds3

About 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one

1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one (PubChem CID 22433058) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one
PubChem CID22433058
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Nc3cc(N4CCCC4)ncn3)ccc21
InChIInChI=1S/C17H20N6O/c1-21-13-6-5-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-7-3-4-8-23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeySAHAOOPSXBQUMI-UHFFFAOYSA-N
XLogP2.01
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one with MolForge

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Related Compounds

N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 22432880
4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112855770
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
2-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-5-amine
CID 122282312
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282279
3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112864690
6-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-N-phenylpyrimidin-4-amine
CID 154865703
6-(azepan-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112864677
N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855731
1-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192759

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one (CID 22433058) is 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(Nc3cc(N4CCCC4)ncn3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one?
The InChIKey is SAHAOOPSXBQUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21-13-6-5-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-7-3-4-8-23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one?
1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one has a molecular weight of 324.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one is sourced from PubChem (CID 22433058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).