2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine

C15H24N4 — CID 82333974

IUPAC2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCC(C)c1ccc2c(c1)nc(CN)n2CCN(C)C
InChIInChI=1S/C15H24N4/c1-11(2)12-5-6-14-13(9-12)17-15(10-16)19(14)8-7-18(3)4/h5-6,9,11H,7-8,10,16H2,1-4H3
InChIKeyGWMNGUMJQHPNQT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine

2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 82333974) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID82333974
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCC(C)c1ccc2c(c1)nc(CN)n2CCN(C)C
InChIInChI=1S/C15H24N4/c1-11(2)12-5-6-14-13(9-12)17-15(10-16)19(14)8-7-18(3)4/h5-6,9,11H,7-8,10,16H2,1-4H3
InChIKeyGWMNGUMJQHPNQT-UHFFFAOYSA-N
XLogP2.18
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine (CID 82333974) is 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine is CC(C)c1ccc2c(c1)nc(CN)n2CCN(C)C.
What is the InChIKey of 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is GWMNGUMJQHPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(2)12-5-6-14-13(9-12)17-15(10-16)19(14)8-7-18(3)4/h5-6,9,11H,7-8,10,16H2,1-4H3.
What are the key properties of 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine?
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82333974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).