2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one

C23H26ClN3O2 — CID 42810643

IUPAC2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc2nc(Cc3cccc(Cl)c3)n(C(C)C(=O)N3CCOCC3)c2cc1C
InChIInChI=1S/C23H26ClN3O2/c1-15-11-20-21(12-16(15)2)27(17(3)23(28)26-7-9-29-10-8-26)22(25-20)14-18-5-4-6-19(24)13-18/h4-6,11-13,17H,7-10,14H2,1-3H3
InChIKeyNOZJMEGFFQNDFU-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.32
Rot. Bonds4

About 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one

2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 42810643) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID42810643
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc2nc(Cc3cccc(Cl)c3)n(C(C)C(=O)N3CCOCC3)c2cc1C
InChIInChI=1S/C23H26ClN3O2/c1-15-11-20-21(12-16(15)2)27(17(3)23(28)26-7-9-29-10-8-26)22(25-20)14-18-5-4-6-19(24)13-18/h4-6,11-13,17H,7-10,14H2,1-3H3
InChIKeyNOZJMEGFFQNDFU-UHFFFAOYSA-N
XLogP4.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 42810643) is 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1cc2nc(Cc3cccc(Cl)c3)n(C(C)C(=O)N3CCOCC3)c2cc1C.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NOZJMEGFFQNDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-15-11-20-21(12-16(15)2)27(17(3)23(28)26-7-9-29-10-8-26)22(25-20)14-18-5-4-6-19(24)13-18/h4-6,11-13,17H,7-10,14H2,1-3H3.
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 411.93 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42810643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).