2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol

C13H19N3O — CID 82496150

IUPAC2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
SMILESCNCC(O)c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-8(2)13-15-10-5-4-9(6-11(10)16-13)12(17)7-14-3/h4-6,8,12,14,17H,7H2,1-3H3,(H,15,16)
InChIKeyODNFOMHLWWOEHT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds4

About 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol

2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol (PubChem CID 82496150) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
PubChem CID82496150
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
SMILESCNCC(O)c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-8(2)13-15-10-5-4-9(6-11(10)16-13)12(17)7-14-3/h4-6,8,12,14,17H,7H2,1-3H3,(H,15,16)
InChIKeyODNFOMHLWWOEHT-UHFFFAOYSA-N
XLogP1.94
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 162266881
CID 162266881
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
CID 82603982
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine
CID 96675483
1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol
CID 117311096
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
CID 96675047
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol (CID 82496150) is 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol is CNCC(O)c1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol?
The InChIKey is ODNFOMHLWWOEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)13-15-10-5-4-9(6-11(10)16-13)12(17)7-14-3/h4-6,8,12,14,17H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol?
2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol is sourced from PubChem (CID 82496150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).