(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol

C13H18N2O — CID 82333770

IUPAC(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
SMILESCCc1ccc2c(c1)nc(CO)n2C(C)C
InChIInChI=1S/C13H18N2O/c1-4-10-5-6-12-11(7-10)14-13(8-16)15(12)9(2)3/h5-7,9,16H,4,8H2,1-3H3
InChIKeyCHXZSGBWDVLCEZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.67
Rot. Bonds3

About (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol

(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol (PubChem CID 82333770) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
PubChem CID82333770
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
SMILESCCc1ccc2c(c1)nc(CO)n2C(C)C
InChIInChI=1S/C13H18N2O/c1-4-10-5-6-12-11(7-10)14-13(8-16)15(12)9(2)3/h5-7,9,16H,4,8H2,1-3H3
InChIKeyCHXZSGBWDVLCEZ-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 82333725
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82333781
[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]methanethiol
CID 82333880
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
2-[5-ethyl-1-(1-phenylethyl)benzimidazol-2-yl]ethanamine
CID 82333474
4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60785204
[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 115950378

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol?
The IUPAC name of (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol (CID 82333770) is (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol?
The canonical SMILES for (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol is CCc1ccc2c(c1)nc(CO)n2C(C)C.
What is the InChIKey of (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol?
The InChIKey is CHXZSGBWDVLCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-10-5-6-12-11(7-10)14-13(8-16)15(12)9(2)3/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol?
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol has a molecular weight of 218.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 82333770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).