N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide

C19H25N6O2+ — CID 139346380

IUPACN-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide
SMILESCCc1cnc(N)c(N(C=O)Cc2n(CC)c3cc(OC)ccc3[n+]2C)n1
InChIInChI=1S/C19H25N6O2/c1-5-13-10-21-18(20)19(22-13)24(12-26)11-17-23(3)15-8-7-14(27-4)9-16(15)25(17)6-2/h7-10,12H,5-6,11H2,1-4H3,(H2,20,21)/q+1
InChIKeyZURZMQOBZSELIN-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.59
Rot. Bonds7

About N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide

N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide (PubChem CID 139346380) has the molecular formula C19H25N6O2+ and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide
PubChem CID139346380
Molecular FormulaC19H25N6O2+
Molecular Weight369.45 g/mol
Exact Mass369.20
IUPAC NameN-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide
SMILESCCc1cnc(N)c(N(C=O)Cc2n(CC)c3cc(OC)ccc3[n+]2C)n1
InChIInChI=1S/C19H25N6O2/c1-5-13-10-21-18(20)19(22-13)24(12-26)11-17-23(3)15-8-7-14(27-4)9-16(15)25(17)6-2/h7-10,12H,5-6,11H2,1-4H3,(H2,20,21)/q+1
InChIKeyZURZMQOBZSELIN-UHFFFAOYSA-N
XLogP1.59
TPSA90.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Omeprazole sulfenamide
CID 5311467
4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599543
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butan-1-ol
CID 5328502
5-Substituted 1-Phenylbenzimidazole 15
CID 5328505
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-Substituted 1-Phenylbenzimidazole 19
CID 5328509

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide?
The IUPAC name of N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide (CID 139346380) is N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide.
What is the SMILES notation for N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide?
The canonical SMILES for N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide is CCc1cnc(N)c(N(C=O)Cc2n(CC)c3cc(OC)ccc3[n+]2C)n1.
What is the InChIKey of N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide?
The InChIKey is ZURZMQOBZSELIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N6O2/c1-5-13-10-21-18(20)19(22-13)24(12-26)11-17-23(3)15-8-7-14(27-4)9-16(15)25(17)6-2/h7-10,12H,5-6,11H2,1-4H3,(H2,20,21)/q+1.
What are the key properties of N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide?
N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide has a molecular weight of 369.45 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-ethylpyrazin-2-yl)-N-[(3-ethyl-5-methoxy-1-methylbenzimidazol-1-ium-2-yl)methyl]formamide is sourced from PubChem (CID 139346380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).