2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol

C15H23N3O — CID 115133588

IUPAC2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol
SMILESCc1nc2cc(CCNC(C)(C)CO)ccc2n1C
InChIInChI=1S/C15H23N3O/c1-11-17-13-9-12(5-6-14(13)18(11)4)7-8-16-15(2,3)10-19/h5-6,9,16,19H,7-8,10H2,1-4H3
InChIKeyJBSZZKYMTGZKJA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol

2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol (PubChem CID 115133588) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol
PubChem CID115133588
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol
SMILESCc1nc2cc(CCNC(C)(C)CO)ccc2n1C
InChIInChI=1S/C15H23N3O/c1-11-17-13-9-12(5-6-14(13)18(11)4)7-8-16-15(2,3)10-19/h5-6,9,16,19H,7-8,10H2,1-4H3
InChIKeyJBSZZKYMTGZKJA-UHFFFAOYSA-N
XLogP1.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol (CID 115133588) is 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol is Cc1nc2cc(CCNC(C)(C)CO)ccc2n1C.
What is the InChIKey of 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is JBSZZKYMTGZKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-17-13-9-12(5-6-14(13)18(11)4)7-8-16-15(2,3)10-19/h5-6,9,16,19H,7-8,10H2,1-4H3.
What are the key properties of 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol?
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115133588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).