1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile

C18H18N6O — CID 75391041

IUPAC1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile
SMILESCCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21
InChIInChI=1S/C18H18N6O/c1-2-24-16-4-3-13(10-19)9-15(16)22-17(24)14-11-20-18(21-12-14)23-5-7-25-8-6-23/h3-4,9,11-12H,2,5-8H2,1H3
InChIKeyFHTBCDCHKREKKH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.22
Rot. Bonds3

About 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile

1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile (PubChem CID 75391041) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile
PubChem CID75391041
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile
SMILESCCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21
InChIInChI=1S/C18H18N6O/c1-2-24-16-4-3-13(10-19)9-15(16)22-17(24)14-11-20-18(21-12-14)23-5-7-25-8-6-23/h3-4,9,11-12H,2,5-8H2,1H3
InChIKeyFHTBCDCHKREKKH-UHFFFAOYSA-N
XLogP2.22
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile (CID 75391041) is 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile is CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile?
The InChIKey is FHTBCDCHKREKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-2-24-16-4-3-13(10-19)9-15(16)22-17(24)14-11-20-18(21-12-14)23-5-7-25-8-6-23/h3-4,9,11-12H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile?
1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 75391041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).