3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine

C16H25N3O — CID 82335287

IUPAC3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc2cc(OC(C)C)ccc2n1C
InChIInChI=1S/C16H25N3O/c1-10(2)8-13(17)16-18-14-9-12(20-11(3)4)6-7-15(14)19(16)5/h6-7,9-11,13H,8,17H2,1-5H3
InChIKeyLYFIYBLVTCYFSQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.41
Rot. Bonds5

About 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine

3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine (PubChem CID 82335287) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
PubChem CID82335287
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc2cc(OC(C)C)ccc2n1C
InChIInChI=1S/C16H25N3O/c1-10(2)8-13(17)16-18-14-9-12(20-11(3)4)6-7-15(14)19(16)5/h6-7,9-11,13H,8,17H2,1-5H3
InChIKeyLYFIYBLVTCYFSQ-UHFFFAOYSA-N
XLogP3.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335259
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
CID 82335299
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335282
(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335418
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
CID 82334028
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
CID 82335223
1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 60783668
3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835458
(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)methanethiol
CID 82335413
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
CID 82335377

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine (CID 82335287) is 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine is CC(C)CC(N)c1nc2cc(OC(C)C)ccc2n1C.
What is the InChIKey of 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine?
The InChIKey is LYFIYBLVTCYFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(2)8-13(17)16-18-14-9-12(20-11(3)4)6-7-15(14)19(16)5/h6-7,9-11,13H,8,17H2,1-5H3.
What are the key properties of 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine?
3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 82335287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).