1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine

C18H19N5O — CID 50968379

IUPAC1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
SMILESCc1ccc2[nH]c(CN(C)Cc3ccc4nonc4c3)nc2c1C
InChIInChI=1S/C18H19N5O/c1-11-4-6-15-18(12(11)2)20-17(19-15)10-23(3)9-13-5-7-14-16(8-13)22-24-21-14/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyDCIWSSTUVQQEEM-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine

1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine (PubChem CID 50968379) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
PubChem CID50968379
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
SMILESCc1ccc2[nH]c(CN(C)Cc3ccc4nonc4c3)nc2c1C
InChIInChI=1S/C18H19N5O/c1-11-4-6-15-18(12(11)2)20-17(19-15)10-23(3)9-13-5-7-14-16(8-13)22-24-21-14/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyDCIWSSTUVQQEEM-UHFFFAOYSA-N
XLogP3.35
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137303323
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 124843396
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(furan-2-yl)-N-methylethanamine
CID 50952494
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 84618784
2-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 135108522
1-(2,1,3-benzoxadiazol-5-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine
CID 31193804
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2,1,3-benzoxadiazol-5-yl)-N-methylmethanamine
CID 42244756
1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine
CID 77091567
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
CID 46986154

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine (CID 50968379) is 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine is Cc1ccc2[nH]c(CN(C)Cc3ccc4nonc4c3)nc2c1C.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The InChIKey is DCIWSSTUVQQEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-4-6-15-18(12(11)2)20-17(19-15)10-23(3)9-13-5-7-14-16(8-13)22-24-21-14/h4-8H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine has a molecular weight of 321.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 50968379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).