N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine

C26H30N4O3 — CID 67004385

IUPACN-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(C2CCOCC2)n3C(C)C)ccc1-c1cnc(C)o1
InChIInChI=1S/C26H30N4O3/c1-16(2)30-22-7-5-6-21(25(22)29-26(30)18-10-12-32-13-11-18)28-19-8-9-20(23(14-19)31-4)24-15-27-17(3)33-24/h5-9,14-16,18,28H,10-13H2,1-4H3
InChIKeyCGSSYXYGEQBKSW-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.23
Rot. Bonds6

About N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine

N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine (PubChem CID 67004385) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine
PubChem CID67004385
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(C2CCOCC2)n3C(C)C)ccc1-c1cnc(C)o1
InChIInChI=1S/C26H30N4O3/c1-16(2)30-22-7-5-6-21(25(22)29-26(30)18-10-12-32-13-11-18)28-19-8-9-20(23(14-19)31-4)24-15-27-17(3)33-24/h5-9,14-16,18,28H,10-13H2,1-4H3
InChIKeyCGSSYXYGEQBKSW-UHFFFAOYSA-N
XLogP6.23
TPSA74.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine?
The IUPAC name of N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine (CID 67004385) is N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine.
What is the SMILES notation for N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine?
The canonical SMILES for N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine is COc1cc(Nc2cccc3c2nc(C2CCOCC2)n3C(C)C)ccc1-c1cnc(C)o1.
What is the InChIKey of N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine?
The InChIKey is CGSSYXYGEQBKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-16(2)30-22-7-5-6-21(25(22)29-26(30)18-10-12-32-13-11-18)28-19-8-9-20(23(14-19)31-4)24-15-27-17(3)33-24/h5-9,14-16,18,28H,10-13H2,1-4H3.
What are the key properties of N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine?
N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine has a molecular weight of 446.55 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(oxan-4-yl)-1-propan-2-ylbenzimidazol-4-amine is sourced from PubChem (CID 67004385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).