4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine

C19H18N6 — CID 118094461

IUPAC4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine
SMILESCc1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)c(N)c1
InChIInChI=1S/C19H18N6/c1-12-7-8-15(14(20)9-12)23-18-10-21-11-19(24-18)25-13(2)22-16-5-3-4-6-17(16)25/h3-11H,20H2,1-2H3,(H,23,24)
InChIKeyPBPOQNPYHUBKIX-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.76
Rot. Bonds3

About 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine

4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine (PubChem CID 118094461) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine
PubChem CID118094461
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine
SMILESCc1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)c(N)c1
InChIInChI=1S/C19H18N6/c1-12-7-8-15(14(20)9-12)23-18-10-21-11-19(24-18)25-13(2)22-16-5-3-4-6-17(16)25/h3-11H,20H2,1-2H3,(H,23,24)
InChIKeyPBPOQNPYHUBKIX-UHFFFAOYSA-N
XLogP3.76
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine (CID 118094461) is 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine is Cc1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)c(N)c1.
What is the InChIKey of 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine?
The InChIKey is PBPOQNPYHUBKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-12-7-8-15(14(20)9-12)23-18-10-21-11-19(24-18)25-13(2)22-16-5-3-4-6-17(16)25/h3-11H,20H2,1-2H3,(H,23,24).
What are the key properties of 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine?
4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine has a molecular weight of 330.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 118094461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).