3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide

C20H24N6O2 — CID 136662243

IUPAC3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide
SMILESCN(C)c1nc(C2CC(NC(=O)CCn3cnc4ccccc43)C2)cc(=O)[nH]1
InChIInChI=1S/C20H24N6O2/c1-25(2)20-23-16(11-19(28)24-20)13-9-14(10-13)22-18(27)7-8-26-12-21-15-5-3-4-6-17(15)26/h3-6,11-14H,7-10H2,1-2H3,(H,22,27)(H,23,24,28)
InChIKeyYPDAUVCOEDBJSO-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.64
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide

3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide (PubChem CID 136662243) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide
PubChem CID136662243
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide
SMILESCN(C)c1nc(C2CC(NC(=O)CCn3cnc4ccccc43)C2)cc(=O)[nH]1
InChIInChI=1S/C20H24N6O2/c1-25(2)20-23-16(11-19(28)24-20)13-9-14(10-13)22-18(27)7-8-26-12-21-15-5-3-4-6-17(15)26/h3-6,11-14H,7-10H2,1-2H3,(H,22,27)(H,23,24,28)
InChIKeyYPDAUVCOEDBJSO-UHFFFAOYSA-N
XLogP1.64
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide (CID 136662243) is 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide is CN(C)c1nc(C2CC(NC(=O)CCn3cnc4ccccc43)C2)cc(=O)[nH]1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide?
The InChIKey is YPDAUVCOEDBJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25(2)20-23-16(11-19(28)24-20)13-9-14(10-13)22-18(27)7-8-26-12-21-15-5-3-4-6-17(15)26/h3-6,11-14H,7-10H2,1-2H3,(H,22,27)(H,23,24,28).
What are the key properties of 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide?
3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide has a molecular weight of 380.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide is sourced from PubChem (CID 136662243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).