N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide

C18H19N5O — CID 58217134

IUPACN-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cncc(CC(C)C)n3)c2c1
InChIInChI=1S/C18H19N5O/c1-4-18(24)22-13-5-6-15-16(8-13)23(11-20-15)17-10-19-9-14(21-17)7-12(2)3/h4-6,8-12H,1,7H2,2-3H3,(H,22,24)
InChIKeyXXQQSONYRSOBFG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.14
Rot. Bonds5

About N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide

N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide (PubChem CID 58217134) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
PubChem CID58217134
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cncc(CC(C)C)n3)c2c1
InChIInChI=1S/C18H19N5O/c1-4-18(24)22-13-5-6-15-16(8-13)23(11-20-15)17-10-19-9-14(21-17)7-12(2)3/h4-6,8-12H,1,7H2,2-3H3,(H,22,24)
InChIKeyXXQQSONYRSOBFG-UHFFFAOYSA-N
XLogP3.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide (CID 58217134) is N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2ncn(-c3cncc(CC(C)C)n3)c2c1.
What is the InChIKey of N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The InChIKey is XXQQSONYRSOBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-4-18(24)22-13-5-6-15-16(8-13)23(11-20-15)17-10-19-9-14(21-17)7-12(2)3/h4-6,8-12H,1,7H2,2-3H3,(H,22,24).
What are the key properties of N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 58217134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).