2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine

C13H19N3O — CID 102696777

IUPAC2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
SMILESCOC(C)CNCc1nc2ccccc2n1C
InChIInChI=1S/C13H19N3O/c1-10(17-3)8-14-9-13-15-11-6-4-5-7-12(11)16(13)2/h4-7,10,14H,8-9H2,1-3H3
InChIKeyXROAHFUAFZNYEE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.70
Rot. Bonds5

About 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine

2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine (PubChem CID 102696777) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
PubChem CID102696777
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
SMILESCOC(C)CNCc1nc2ccccc2n1C
InChIInChI=1S/C13H19N3O/c1-10(17-3)8-14-9-13-15-11-6-4-5-7-12(11)16(13)2/h4-7,10,14H,8-9H2,1-3H3
InChIKeyXROAHFUAFZNYEE-UHFFFAOYSA-N
XLogP1.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
tert-butyl N-[1-[(1-methylbenzimidazol-2-yl)methylamino]propan-2-yl]carbamate
CID 107247403
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 119110505
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122360
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641544
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78923351
2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine
CID 102698056

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine (CID 102696777) is 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine is COC(C)CNCc1nc2ccccc2n1C.
What is the InChIKey of 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is XROAHFUAFZNYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(17-3)8-14-9-13-15-11-6-4-5-7-12(11)16(13)2/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine?
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102696777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).