1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine

C18H29N3 — CID 82334028

IUPAC1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc2cc(C(C)C)ccc2n1C(C)C
InChIInChI=1S/C18H29N3/c1-11(2)9-15(19)18-20-16-10-14(12(3)4)7-8-17(16)21(18)13(5)6/h7-8,10-13,15H,9,19H2,1-6H3
InChIKeyKPAXDIMBCQNSOU-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.79
Rot. Bonds5

About 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine

1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 82334028) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
PubChem CID82334028
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc2cc(C(C)C)ccc2n1C(C)C
InChIInChI=1S/C18H29N3/c1-11(2)9-15(19)18-20-16-10-14(12(3)4)7-8-17(16)21(18)13(5)6/h7-8,10-13,15H,9,19H2,1-6H3
InChIKeyKPAXDIMBCQNSOU-UHFFFAOYSA-N
XLogP4.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
CID 82333985
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104
1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333991
1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54919733
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920160
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 60784384
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 60783637
3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335287
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919779
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine
CID 65284180

Frequently Asked Questions

What is the IUPAC name of 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine (CID 82334028) is 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1nc2cc(C(C)C)ccc2n1C(C)C.
What is the InChIKey of 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is KPAXDIMBCQNSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-11(2)9-15(19)18-20-16-10-14(12(3)4)7-8-17(16)21(18)13(5)6/h7-8,10-13,15H,9,19H2,1-6H3.
What are the key properties of 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine?
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 82334028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).