2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol

C12H16N2O — CID 82491889

IUPAC2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
SMILESCC(C)c1nc2ccc(CCO)cc2[nH]1
InChIInChI=1S/C12H16N2O/c1-8(2)12-13-10-4-3-9(5-6-15)7-11(10)14-12/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyYRPWTBIRKDGCMA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol

2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol (PubChem CID 82491889) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
PubChem CID82491889
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
SMILESCC(C)c1nc2ccc(CCO)cc2[nH]1
InChIInChI=1S/C12H16N2O/c1-8(2)12-13-10-4-3-9(5-6-15)7-11(10)14-12/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyYRPWTBIRKDGCMA-UHFFFAOYSA-N
XLogP2.22
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110791569
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
CID 110791570
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816333
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
[6-[2-(propan-2-ylamino)ethyl]-1H-benzimidazol-2-yl]methanediol
CID 90364939

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol?
The IUPAC name of 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol (CID 82491889) is 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol?
The canonical SMILES for 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol is CC(C)c1nc2ccc(CCO)cc2[nH]1.
What is the InChIKey of 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol?
The InChIKey is YRPWTBIRKDGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)12-13-10-4-3-9(5-6-15)7-11(10)14-12/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol?
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol has a molecular weight of 204.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol is sourced from PubChem (CID 82491889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).