3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one

C17H19N5O — CID 133466705

IUPAC3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2nc3ccccc3n2C2CC2)c1=O
InChIInChI=1S/C17H19N5O/c1-2-21-10-9-18-16(17(21)23)19-11-15-20-13-5-3-4-6-14(13)22(15)12-7-8-12/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,18,19)
InChIKeyFURRTCJKBAJNQD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.56
Rot. Bonds5

About 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one

3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one (PubChem CID 133466705) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one
PubChem CID133466705
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2nc3ccccc3n2C2CC2)c1=O
InChIInChI=1S/C17H19N5O/c1-2-21-10-9-18-16(17(21)23)19-11-15-20-13-5-3-4-6-14(13)22(15)12-7-8-12/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,18,19)
InChIKeyFURRTCJKBAJNQD-UHFFFAOYSA-N
XLogP2.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one (CID 133466705) is 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NCc2nc3ccccc3n2C2CC2)c1=O.
What is the InChIKey of 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one?
The InChIKey is FURRTCJKBAJNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-21-10-9-18-16(17(21)23)19-11-15-20-13-5-3-4-6-14(13)22(15)12-7-8-12/h3-6,9-10,12H,2,7-8,11H2,1H3,(H,18,19).
What are the key properties of 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one?
3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 133466705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).