N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C17H19N5O2 — CID 56876658

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NCCc2nc3ccccc3[nH]2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O2/c1-10(2)15-19-9-11(17(24)22-15)16(23)18-8-7-14-20-12-5-3-4-6-13(12)21-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,23)(H,20,21)(H,19,22,24)
InChIKeyOZLZSCJQMHGDIN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 56876658) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID56876658
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NCCc2nc3ccccc3[nH]2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O2/c1-10(2)15-19-9-11(17(24)22-15)16(23)18-8-7-14-20-12-5-3-4-6-13(12)21-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,23)(H,20,21)(H,19,22,24)
InChIKeyOZLZSCJQMHGDIN-UHFFFAOYSA-N
XLogP1.74
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
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CID 60550987
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
methyl 6-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 32657840
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18143854
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 56876658) is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NCCc2nc3ccccc3[nH]2)c(=O)[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is OZLZSCJQMHGDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(2)15-19-9-11(17(24)22-15)16(23)18-8-7-14-20-12-5-3-4-6-13(12)21-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,23)(H,20,21)(H,19,22,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56876658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).