N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C19H23N5O2 — CID 77090502

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCn1c(CNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)nc2ccccc21
InChIInChI=1S/C19H23N5O2/c1-4-24-16-8-6-5-7-14(16)22-17(24)11-20-18(25)15-10-13(9-12(2)3)21-19(26)23-15/h5-8,10,12H,4,9,11H2,1-3H3,(H,20,25)(H,21,23,26)
InChIKeyGORMMSWAQHYGIS-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.27
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 77090502) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID77090502
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCn1c(CNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)nc2ccccc21
InChIInChI=1S/C19H23N5O2/c1-4-24-16-8-6-5-7-14(16)22-17(24)11-20-18(25)15-10-13(9-12(2)3)21-19(26)23-15/h5-8,10,12H,4,9,11H2,1-3H3,(H,20,25)(H,21,23,26)
InChIKeyGORMMSWAQHYGIS-UHFFFAOYSA-N
XLogP2.27
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 18116740
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24532368
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 77090502) is N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CCn1c(CNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is GORMMSWAQHYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-24-16-8-6-5-7-14(16)22-17(24)11-20-18(25)15-10-13(9-12(2)3)21-19(26)23-15/h5-8,10,12H,4,9,11H2,1-3H3,(H,20,25)(H,21,23,26).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 77090502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).