N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide

C21H21N5O — CID 21008774

IUPACN-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2nc1CC
InChIInChI=1S/C21H21N5O/c1-3-14-15(4-2)24-19-11-13(9-10-18(19)23-14)21(27)22-12-20-25-16-7-5-6-8-17(16)26-20/h5-11H,3-4,12H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyYCULNQKZIMYPNJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.56
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 21008774) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
PubChem CID21008774
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2nc1CC
InChIInChI=1S/C21H21N5O/c1-3-14-15(4-2)24-19-11-13(9-10-18(19)23-14)21(27)22-12-20-25-16-7-5-6-8-17(16)26-20/h5-11H,3-4,12H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyYCULNQKZIMYPNJ-UHFFFAOYSA-N
XLogP3.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N,2,3-triethylquinoxaline-6-carboxamide
CID 22588073
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18105228
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide (CID 21008774) is N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2nc1CC.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide?
The InChIKey is YCULNQKZIMYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-3-14-15(4-2)24-19-11-13(9-10-18(19)23-14)21(27)22-12-20-25-16-7-5-6-8-17(16)26-20/h5-11H,3-4,12H2,1-2H3,(H,22,27)(H,25,26).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 21008774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).