5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide

C14H19N3O2 — CID 123799524

IUPAC5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide
SMILESCC(C)n1c(C(N)=O)nc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C14H19N3O2/c1-8(2)17-11-6-5-9(14(3,4)19)7-10(11)16-13(17)12(15)18/h5-8,19H,1-4H3,(H2,15,18)
InChIKeyZPEQLXTXPINOPQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds3

About 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide

5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide (PubChem CID 123799524) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide
PubChem CID123799524
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide
SMILESCC(C)n1c(C(N)=O)nc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C14H19N3O2/c1-8(2)17-11-6-5-9(14(3,4)19)7-10(11)16-13(17)12(15)18/h5-8,19H,1-4H3,(H2,15,18)
InChIKeyZPEQLXTXPINOPQ-UHFFFAOYSA-N
XLogP1.94
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide (CID 123799524) is 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide is CC(C)n1c(C(N)=O)nc2cc(C(C)(C)O)ccc21.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide?
The InChIKey is ZPEQLXTXPINOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)17-11-6-5-9(14(3,4)19)7-10(11)16-13(17)12(15)18/h5-8,19H,1-4H3,(H2,15,18).
What are the key properties of 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide?
5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-1-propan-2-ylbenzimidazole-2-carboxamide is sourced from PubChem (CID 123799524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).