N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine

C20H20N4O — CID 42778874

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine
SMILESCc1onc(-c2ccccc2)c1CNCc1nc2ccccc2n1C
InChIInChI=1S/C20H20N4O/c1-14-16(20(23-25-14)15-8-4-3-5-9-15)12-21-13-19-22-17-10-6-7-11-18(17)24(19)2/h3-11,21H,12-13H2,1-2H3
InChIKeyGEPWAXFEOFYLTK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.83
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine (PubChem CID 42778874) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine
PubChem CID42778874
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine
SMILESCc1onc(-c2ccccc2)c1CNCc1nc2ccccc2n1C
InChIInChI=1S/C20H20N4O/c1-14-16(20(23-25-14)15-8-4-3-5-9-15)12-21-13-19-22-17-10-6-7-11-18(17)24(19)2/h3-11,21H,12-13H2,1-2H3
InChIKeyGEPWAXFEOFYLTK-UHFFFAOYSA-N
XLogP3.83
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 55028090
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 3290235
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methylpyrazin-2-yl)methanamine
CID 63756235
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78923351
3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 55572437
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine (CID 42778874) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine is Cc1onc(-c2ccccc2)c1CNCc1nc2ccccc2n1C.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine?
The InChIKey is GEPWAXFEOFYLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-16(20(23-25-14)15-8-4-3-5-9-15)12-21-13-19-22-17-10-6-7-11-18(17)24(19)2/h3-11,21H,12-13H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine has a molecular weight of 332.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine is sourced from PubChem (CID 42778874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).