3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

C18H29N3 — CID 79619959

IUPAC3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCc1cc2ncn(CC(C)(C)CNCC(C)C)c2cc1C
InChIInChI=1S/C18H29N3/c1-13(2)9-19-10-18(5,6)11-21-12-20-16-7-14(3)15(4)8-17(16)21/h7-8,12-13,19H,9-11H2,1-6H3
InChIKeyFNSUALUZDSDOOC-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.92
Rot. Bonds6

About 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 79619959) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID79619959
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCc1cc2ncn(CC(C)(C)CNCC(C)C)c2cc1C
InChIInChI=1S/C18H29N3/c1-13(2)9-19-10-18(5,6)11-21-12-20-16-7-14(3)15(4)8-17(16)21/h7-8,12-13,19H,9-11H2,1-6H3
InChIKeyFNSUALUZDSDOOC-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 79619959) is 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is Cc1cc2ncn(CC(C)(C)CNCC(C)C)c2cc1C.
What is the InChIKey of 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is FNSUALUZDSDOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(2)9-19-10-18(5,6)11-21-12-20-16-7-14(3)15(4)8-17(16)21/h7-8,12-13,19H,9-11H2,1-6H3.
What are the key properties of 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 79619959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).