1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol

C19H19Cl2N3O2 — CID 66976776

IUPAC1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol
SMILESCc1nc2c(O)cc(N3CCOCC3)cc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-12-22-19-16(24(12)11-13-3-2-4-15(20)18(13)21)9-14(10-17(19)25)23-5-7-26-8-6-23/h2-4,9-10,25H,5-8,11H2,1H3
InChIKeyNZQWNNZZFUYTMC-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.24
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol

1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol (PubChem CID 66976776) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol
PubChem CID66976776
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol
SMILESCc1nc2c(O)cc(N3CCOCC3)cc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-12-22-19-16(24(12)11-13-3-2-4-15(20)18(13)21)9-14(10-17(19)25)23-5-7-26-8-6-23/h2-4,9-10,25H,5-8,11H2,1H3
InChIKeyNZQWNNZZFUYTMC-UHFFFAOYSA-N
XLogP4.24
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol (CID 66976776) is 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol is Cc1nc2c(O)cc(N3CCOCC3)cc2n1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol?
The InChIKey is NZQWNNZZFUYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-12-22-19-16(24(12)11-13-3-2-4-15(20)18(13)21)9-14(10-17(19)25)23-5-7-26-8-6-23/h2-4,9-10,25H,5-8,11H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol?
1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol has a molecular weight of 392.29 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol is sourced from PubChem (CID 66976776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).