2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine

C14H21N3O — CID 123752331

IUPAC2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
SMILESCOC(C)C(N)c1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C14H21N3O/c1-8(2)10-5-6-11-12(7-10)17-14(16-11)13(15)9(3)18-4/h5-9,13H,15H2,1-4H3,(H,16,17)
InChIKeyRXTOPYFMSAIIMQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds4

About 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine

2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 123752331) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID123752331
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
SMILESCOC(C)C(N)c1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C14H21N3O/c1-8(2)10-5-6-11-12(7-10)17-14(16-11)13(15)9(3)18-4/h5-9,13H,15H2,1-4H3,(H,16,17)
InChIKeyRXTOPYFMSAIIMQ-UHFFFAOYSA-N
XLogP2.72
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 162266881
CID 162266881
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 93307762
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82496150
2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
CID 82331925
6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 89433833
2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole
CID 59610419
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine (CID 123752331) is 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine is COC(C)C(N)c1nc2ccc(C(C)C)cc2[nH]1.
What is the InChIKey of 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is RXTOPYFMSAIIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-8(2)10-5-6-11-12(7-10)17-14(16-11)13(15)9(3)18-4/h5-9,13H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine?
2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 123752331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).