(4-propan-2-yl-1H-benzimidazol-5-yl)methanol

C11H14N2O — CID 154686552

IUPAC(4-propan-2-yl-1H-benzimidazol-5-yl)methanol
SMILESCC(C)c1c(CO)ccc2[nH]cnc12
InChIInChI=1S/C11H14N2O/c1-7(2)10-8(5-14)3-4-9-11(10)13-6-12-9/h3-4,6-7,14H,5H2,1-2H3,(H,12,13)
InChIKeyUTNYDKAFDCAAHM-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.18
Rot. Bonds2

About (4-propan-2-yl-1H-benzimidazol-5-yl)methanol

(4-propan-2-yl-1H-benzimidazol-5-yl)methanol (PubChem CID 154686552) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4-propan-2-yl-1H-benzimidazol-5-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-yl-1H-benzimidazol-5-yl)methanol
PubChem CID154686552
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4-propan-2-yl-1H-benzimidazol-5-yl)methanol
SMILESCC(C)c1c(CO)ccc2[nH]cnc12
InChIInChI=1S/C11H14N2O/c1-7(2)10-8(5-14)3-4-9-11(10)13-6-12-9/h3-4,6-7,14H,5H2,1-2H3,(H,12,13)
InChIKeyUTNYDKAFDCAAHM-UHFFFAOYSA-N
XLogP2.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1H-benzimidazol-5-yl)methanol?
The IUPAC name of (4-propan-2-yl-1H-benzimidazol-5-yl)methanol (CID 154686552) is (4-propan-2-yl-1H-benzimidazol-5-yl)methanol.
What is the SMILES notation for (4-propan-2-yl-1H-benzimidazol-5-yl)methanol?
The canonical SMILES for (4-propan-2-yl-1H-benzimidazol-5-yl)methanol is CC(C)c1c(CO)ccc2[nH]cnc12.
What is the InChIKey of (4-propan-2-yl-1H-benzimidazol-5-yl)methanol?
The InChIKey is UTNYDKAFDCAAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)10-8(5-14)3-4-9-11(10)13-6-12-9/h3-4,6-7,14H,5H2,1-2H3,(H,12,13).
What are the key properties of (4-propan-2-yl-1H-benzimidazol-5-yl)methanol?
(4-propan-2-yl-1H-benzimidazol-5-yl)methanol has a molecular weight of 190.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1H-benzimidazol-5-yl)methanol is sourced from PubChem (CID 154686552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).