N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C15H15N5O2 — CID 166402085

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C15H15N5O2/c1-8(2)13-16-6-5-11(18-13)14(21)17-9-3-4-10-12(7-9)20-15(22)19-10/h3-8H,1-2H3,(H,17,21)(H2,19,20,22)
InChIKeyOIXRGCRLJHPPSS-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.02
Rot. Bonds3

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 166402085) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID166402085
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C15H15N5O2/c1-8(2)13-16-6-5-11(18-13)14(21)17-9-3-4-10-12(7-9)20-15(22)19-10/h3-8H,1-2H3,(H,17,21)(H2,19,20,22)
InChIKeyOIXRGCRLJHPPSS-UHFFFAOYSA-N
XLogP2.02
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 166402085) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is OIXRGCRLJHPPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-8(2)13-16-6-5-11(18-13)14(21)17-9-3-4-10-12(7-9)20-15(22)19-10/h3-8H,1-2H3,(H,17,21)(H2,19,20,22).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166402085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).