(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone

C23H28N4O2 — CID 119110424

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(CNCc3nc4ccccc4n3C)cc2)CC(C)O1
InChIInChI=1S/C23H28N4O2/c1-16-14-27(15-17(2)29-16)23(28)19-10-8-18(9-11-19)12-24-13-22-25-20-6-4-5-7-21(20)26(22)3/h4-11,16-17,24H,12-15H2,1-3H3
InChIKeyQSHBBECWQSVYEA-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.11
Rot. Bonds5

About (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone (PubChem CID 119110424) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone
PubChem CID119110424
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(CNCc3nc4ccccc4n3C)cc2)CC(C)O1
InChIInChI=1S/C23H28N4O2/c1-16-14-27(15-17(2)29-16)23(28)19-10-8-18(9-11-19)12-24-13-22-25-20-6-4-5-7-21(20)26(22)3/h4-11,16-17,24H,12-15H2,1-3H3
InChIKeyQSHBBECWQSVYEA-UHFFFAOYSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone (CID 119110424) is (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone is CC1CN(C(=O)c2ccc(CNCc3nc4ccccc4n3C)cc2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone?
The InChIKey is QSHBBECWQSVYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-14-27(15-17(2)29-16)23(28)19-10-8-18(9-11-19)12-24-13-22-25-20-6-4-5-7-21(20)26(22)3/h4-11,16-17,24H,12-15H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone has a molecular weight of 392.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone is sourced from PubChem (CID 119110424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).