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

C13H19N3O — CID 60691476

IUPAC2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C13H19N3O/c1-2-7-16(8-9-17)10-13-14-11-5-3-4-6-12(11)15-13/h3-6,17H,2,7-10H2,1H3,(H,14,15)
InChIKeyWLNIDPMGINYCAO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.77
Rot. Bonds6

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

2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol (PubChem CID 60691476) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
PubChem CID60691476
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C13H19N3O/c1-2-7-16(8-9-17)10-13-14-11-5-3-4-6-12(11)15-13/h3-6,17H,2,7-10H2,1H3,(H,14,15)
InChIKeyWLNIDPMGINYCAO-UHFFFAOYSA-N
XLogP1.77
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline
CID 71494889
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
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
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
CID 46985414
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese
CID 91867985
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923

Frequently Asked Questions

What is the IUPAC name of 2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol?
The IUPAC name of 2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol (CID 60691476) is 2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol is CCCN(CCO)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol?
The InChIKey is WLNIDPMGINYCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-7-16(8-9-17)10-13-14-11-5-3-4-6-12(11)15-13/h3-6,17H,2,7-10H2,1H3,(H,14,15).
What are the key properties of 2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol?
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.77, 6 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(propyl)amino]ethanol is sourced from PubChem (CID 60691476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).