2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol

C14H21N3O — CID 60689151

IUPAC2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
SMILESCCCCN(CCO)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3O/c1-2-3-8-17(9-10-18)11-14-15-12-6-4-5-7-13(12)16-14/h4-7,18H,2-3,8-11H2,1H3,(H,15,16)
InChIKeyGARMHXJEQVDUIC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds7

About 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol

2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol (PubChem CID 60689151) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol.

Molecular Properties

Compound Name2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
PubChem CID60689151
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
SMILESCCCCN(CCO)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3O/c1-2-3-8-17(9-10-18)11-14-15-12-6-4-5-7-13(12)16-14/h4-7,18H,2-3,8-11H2,1H3,(H,15,16)
InChIKeyGARMHXJEQVDUIC-UHFFFAOYSA-N
XLogP2.16
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82335876
2-docosyl-1H-benzimidazole
CID 141189761
N-(1H-benzimidazol-2-ylmethyl)-N-dodecyl-4-methylaniline
CID 71492460
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
CID 62022162
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140

Frequently Asked Questions

What is the IUPAC name of 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol?
The IUPAC name of 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol (CID 60689151) is 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol.
What is the SMILES notation for 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol?
The canonical SMILES for 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol is CCCCN(CCO)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol?
The InChIKey is GARMHXJEQVDUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-8-17(9-10-18)11-14-15-12-6-4-5-7-13(12)16-14/h4-7,18H,2-3,8-11H2,1H3,(H,15,16).
What are the key properties of 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol?
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol has a molecular weight of 247.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol is sourced from PubChem (CID 60689151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).