N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine

C17H25N3O — CID 124843396

IUPACN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
SMILESCc1ccc2[nH]c(CN(C)C[C@@H]3CCCCO3)nc2c1C
InChIInChI=1S/C17H25N3O/c1-12-7-8-15-17(13(12)2)19-16(18-15)11-20(3)10-14-6-4-5-9-21-14/h7-8,14H,4-6,9-11H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyDQMOUDGNYNPDEO-AWEZNQCLSA-N
MW287.41 g/mol
LogP3.18
Rot. Bonds4

About N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine

N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine (PubChem CID 124843396) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
PubChem CID124843396
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
SMILESCc1ccc2[nH]c(CN(C)C[C@@H]3CCCCO3)nc2c1C
InChIInChI=1S/C17H25N3O/c1-12-7-8-15-17(13(12)2)19-16(18-15)11-20(3)10-14-6-4-5-9-21-14/h7-8,14H,4-6,9-11H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyDQMOUDGNYNPDEO-AWEZNQCLSA-N
XLogP3.18
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine with MolForge

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Related Compounds

N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95200553
N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 56793498
3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125438875
1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 50968379
N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 29116103
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 155799698
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 103182165
6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 136793213
2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61431016
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine?
The IUPAC name of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine (CID 124843396) is N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine is Cc1ccc2[nH]c(CN(C)C[C@@H]3CCCCO3)nc2c1C.
What is the InChIKey of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine?
The InChIKey is DQMOUDGNYNPDEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-7-8-15-17(13(12)2)19-16(18-15)11-20(3)10-14-6-4-5-9-21-14/h7-8,14H,4-6,9-11H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine?
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine is sourced from PubChem (CID 124843396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).