N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

C21H19N5O2 — CID 135963099

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESCn1c(CCNC(=O)c2cc(=O)[nH]c(-c3ccccc3)n2)nc2ccccc21
InChIInChI=1S/C21H19N5O2/c1-26-17-10-6-5-9-15(17)23-18(26)11-12-22-21(28)16-13-19(27)25-20(24-16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,28)(H,24,25,27)
InChIKeyCDOKJVJTGSKZJV-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.30
Rot. Bonds5

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (PubChem CID 135963099) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
PubChem CID135963099
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESCn1c(CCNC(=O)c2cc(=O)[nH]c(-c3ccccc3)n2)nc2ccccc21
InChIInChI=1S/C21H19N5O2/c1-26-17-10-6-5-9-15(17)23-18(26)11-12-22-21(28)16-13-19(27)25-20(24-16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,28)(H,24,25,27)
InChIKeyCDOKJVJTGSKZJV-UHFFFAOYSA-N
XLogP2.30
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
N-[2-(1-methylbenzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53193500
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682
1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
CID 156583563
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110741916
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75357001
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (CID 135963099) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is Cn1c(CCNC(=O)c2cc(=O)[nH]c(-c3ccccc3)n2)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The InChIKey is CDOKJVJTGSKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-26-17-10-6-5-9-15(17)23-18(26)11-12-22-21(28)16-13-19(27)25-20(24-16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,28)(H,24,25,27).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135963099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).