1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one

C15H12ClN5O — CID 140903642

IUPAC1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one
SMILESO=C1CCN(c2ncc(Cl)c(-n3cnc4ccccc43)n2)C1
InChIInChI=1S/C15H12ClN5O/c16-11-7-17-15(20-6-5-10(22)8-20)19-14(11)21-9-18-12-3-1-2-4-13(12)21/h1-4,7,9H,5-6,8H2
InChIKeyYJQLMMBAWXCHQC-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.25
Rot. Bonds2

About 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one

1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one (PubChem CID 140903642) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one
PubChem CID140903642
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one
SMILESO=C1CCN(c2ncc(Cl)c(-n3cnc4ccccc43)n2)C1
InChIInChI=1S/C15H12ClN5O/c16-11-7-17-15(20-6-5-10(22)8-20)19-14(11)21-9-18-12-3-1-2-4-13(12)21/h1-4,7,9H,5-6,8H2
InChIKeyYJQLMMBAWXCHQC-UHFFFAOYSA-N
XLogP2.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]amino]acetaldehyde
CID 146243949
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole
CID 140903686
1-[5-chloro-2-(4-propylheptyl)pyrimidin-4-yl]benzimidazole
CID 146244049
1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole
CID 114837450
4-(benzimidazol-1-yl)-5-chloro-N-[3-chloro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
CID 148816833
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
1-(4-chloro-1H-pyrazol-5-yl)benzimidazole
CID 163906532
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760242
4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138691
1-(2,3-dichlorophenyl)benzimidazole
CID 42636654
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one?
The IUPAC name of 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one (CID 140903642) is 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one.
What is the SMILES notation for 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one?
The canonical SMILES for 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one is O=C1CCN(c2ncc(Cl)c(-n3cnc4ccccc43)n2)C1.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one?
The InChIKey is YJQLMMBAWXCHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-11-7-17-15(20-6-5-10(22)8-20)19-14(11)21-9-18-12-3-1-2-4-13(12)21/h1-4,7,9H,5-6,8H2.
What are the key properties of 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one?
1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one has a molecular weight of 313.75 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]pyrrolidin-3-one is sourced from PubChem (CID 140903642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).