N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide

C20H19N5O — CID 21008897

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2nc1C
InChIInChI=1S/C20H19N5O/c1-12-13(2)23-18-11-14(7-8-17(18)22-12)20(26)21-10-9-19-24-15-5-3-4-6-16(15)25-19/h3-8,11H,9-10H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyQCLPXUHFEDLYOG-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 21008897) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID21008897
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2nc1C
InChIInChI=1S/C20H19N5O/c1-12-13(2)23-18-11-14(7-8-17(18)22-12)20(26)21-10-9-19-24-15-5-3-4-6-16(15)25-19/h3-8,11H,9-10H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyQCLPXUHFEDLYOG-UHFFFAOYSA-N
XLogP3.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 719296
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 21008897) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2nc1C.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is QCLPXUHFEDLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-13(2)23-18-11-14(7-8-17(18)22-12)20(26)21-10-9-19-24-15-5-3-4-6-16(15)25-19/h3-8,11H,9-10H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 21008897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).