1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine

C14H21N3 — CID 82495604

IUPAC1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
SMILESCCn1c(C)nc2cc(CC(C)(C)N)ccc21
InChIInChI=1S/C14H21N3/c1-5-17-10(2)16-12-8-11(6-7-13(12)17)9-14(3,4)15/h6-8H,5,9,15H2,1-4H3
InChIKeyJAHYCGCTYGTJRD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.64
Rot. Bonds3

About 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine

1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine (PubChem CID 82495604) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
PubChem CID82495604
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
SMILESCCn1c(C)nc2cc(CC(C)(C)N)ccc21
InChIInChI=1S/C14H21N3/c1-5-17-10(2)16-12-8-11(6-7-13(12)17)9-14(3,4)15/h6-8H,5,9,15H2,1-4H3
InChIKeyJAHYCGCTYGTJRD-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine (CID 82495604) is 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine is CCn1c(C)nc2cc(CC(C)(C)N)ccc21.
What is the InChIKey of 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine?
The InChIKey is JAHYCGCTYGTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-5-17-10(2)16-12-8-11(6-7-13(12)17)9-14(3,4)15/h6-8H,5,9,15H2,1-4H3.
What are the key properties of 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine?
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82495604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).