1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one

C17H24N4O3 — CID 668694

IUPAC1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one
SMILESO=c1n(CN2CCOCC2)c2ccccc2n1CN1CCOCC1
InChIInChI=1S/C17H24N4O3/c22-17-20(13-18-5-9-23-10-6-18)15-3-1-2-4-16(15)21(17)14-19-7-11-24-12-8-19/h1-4H,5-14H2
InChIKeyUKXAYYNRXXPXLL-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.38
Rot. Bonds4

About 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one

1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one (PubChem CID 668694) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one
PubChem CID668694
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one
SMILESO=c1n(CN2CCOCC2)c2ccccc2n1CN1CCOCC1
InChIInChI=1S/C17H24N4O3/c22-17-20(13-18-5-9-23-10-6-18)15-3-1-2-4-16(15)21(17)14-19-7-11-24-12-8-19/h1-4H,5-14H2
InChIKeyUKXAYYNRXXPXLL-UHFFFAOYSA-N
XLogP0.38
TPSA51.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one?
The IUPAC name of 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one (CID 668694) is 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one?
The canonical SMILES for 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one is O=c1n(CN2CCOCC2)c2ccccc2n1CN1CCOCC1.
What is the InChIKey of 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one?
The InChIKey is UKXAYYNRXXPXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-17-20(13-18-5-9-23-10-6-18)15-3-1-2-4-16(15)21(17)14-19-7-11-24-12-8-19/h1-4H,5-14H2.
What are the key properties of 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one?
1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one has a molecular weight of 332.40 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(morpholin-4-ylmethyl)benzimidazol-2-one is sourced from PubChem (CID 668694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).