5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine

C16H25N3O — CID 82847019

IUPAC5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
SMILESCOc1ccc2c(c1)nc(CCCC(C)N)n2C(C)C
InChIInChI=1S/C16H25N3O/c1-11(2)19-15-9-8-13(20-4)10-14(15)18-16(19)7-5-6-12(3)17/h8-12H,5-7,17H2,1-4H3
InChIKeyRJKJXSIXIVKVIU-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.30
Rot. Bonds6

About 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine

5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 82847019) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
PubChem CID82847019
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
SMILESCOc1ccc2c(c1)nc(CCCC(C)N)n2C(C)C
InChIInChI=1S/C16H25N3O/c1-11(2)19-15-9-8-13(20-4)10-14(15)18-16(19)7-5-6-12(3)17/h8-12H,5-7,17H2,1-4H3
InChIKeyRJKJXSIXIVKVIU-UHFFFAOYSA-N
XLogP3.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457
3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334838
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 82334654
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)pentan-2-amine
CID 82846873
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
CID 82335377
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine (CID 82847019) is 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine is COc1ccc2c(c1)nc(CCCC(C)N)n2C(C)C.
What is the InChIKey of 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is RJKJXSIXIVKVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)19-15-9-8-13(20-4)10-14(15)18-16(19)7-5-6-12(3)17/h8-12H,5-7,17H2,1-4H3.
What are the key properties of 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine?
5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 82847019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).