N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine

C15H22N4O — CID 95159798

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@@H](CNCc2nc3ccccc3n2C)C1
InChIInChI=1S/C15H22N4O/c1-18-7-8-20-12(11-18)9-16-10-15-17-13-5-3-4-6-14(13)19(15)2/h3-6,12,16H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyKODBFLDBNSNPJU-LBPRGKRZSA-N
MW274.37 g/mol
LogP0.99
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95159798) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
PubChem CID95159798
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@@H](CNCc2nc3ccccc3n2C)C1
InChIInChI=1S/C15H22N4O/c1-18-7-8-20-12(11-18)9-16-10-15-17-13-5-3-4-6-14(13)19(15)2/h3-6,12,16H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyKODBFLDBNSNPJU-LBPRGKRZSA-N
XLogP0.99
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614962
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189
1-(4-methylmorpholin-2-yl)-N-[(5-phenylfuran-2-yl)methyl]methanamine
CID 119123106
1-(1,1-dioxothiolan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 81038373
1-(4-methylmorpholin-2-yl)-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119123070
3-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,2-diol
CID 79083126
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (CID 95159798) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is CN1CCO[C@@H](CNCc2nc3ccccc3n2C)C1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is KODBFLDBNSNPJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-7-8-20-12(11-18)9-16-10-15-17-13-5-3-4-6-14(13)19(15)2/h3-6,12,16H,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 0.99, 4 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-[(2S)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95159798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).