2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol

C16H26N4O — CID 82311364

IUPAC2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol
SMILESCc1ccc2c(c1)nc(C(C)N(C)CCO)n2C(C)CN
InChIInChI=1S/C16H26N4O/c1-11-5-6-15-14(9-11)18-16(20(15)12(2)10-17)13(3)19(4)7-8-21/h5-6,9,12-13,21H,7-8,10,17H2,1-4H3
InChIKeyXHTIOWQICKXACE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.85
Rot. Bonds6

About 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol

2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol (PubChem CID 82311364) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol
PubChem CID82311364
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol
SMILESCc1ccc2c(c1)nc(C(C)N(C)CCO)n2C(C)CN
InChIInChI=1S/C16H26N4O/c1-11-5-6-15-14(9-11)18-16(20(15)12(2)10-17)13(3)19(4)7-8-21/h5-6,9,12-13,21H,7-8,10,17H2,1-4H3
InChIKeyXHTIOWQICKXACE-UHFFFAOYSA-N
XLogP1.85
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol
CID 82311721
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
CID 62675893
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919779
2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide
CID 82311925
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
2-[1-[1-(dimethylamino)propan-2-yl]-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 82940267
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
CID 115144217
2-(1-chloroethyl)-N,N,5-trimethylbenzimidazol-1-amine
CID 83017764
3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
CID 107835396
1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
CID 60785614

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol?
The IUPAC name of 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol (CID 82311364) is 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol is Cc1ccc2c(c1)nc(C(C)N(C)CCO)n2C(C)CN.
What is the InChIKey of 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol?
The InChIKey is XHTIOWQICKXACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-5-6-15-14(9-11)18-16(20(15)12(2)10-17)13(3)19(4)7-8-21/h5-6,9,12-13,21H,7-8,10,17H2,1-4H3.
What are the key properties of 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol?
2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol has a molecular weight of 290.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol is sourced from PubChem (CID 82311364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).