2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol

C18H21N3O — CID 110931079

IUPAC2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
SMILESCC(NC(CO)c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H21N3O/c1-13(19-16(12-22)14-8-4-3-5-9-14)18-20-15-10-6-7-11-17(15)21(18)2/h3-11,13,16,19,22H,12H2,1-2H3
InChIKeyPBJPEPIOAZRUNW-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.96
Rot. Bonds5

About 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol

2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol (PubChem CID 110931079) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
PubChem CID110931079
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
SMILESCC(NC(CO)c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H21N3O/c1-13(19-16(12-22)14-8-4-3-5-9-14)18-20-15-10-6-7-11-17(15)21(18)2/h3-11,13,16,19,22H,12H2,1-2H3
InChIKeyPBJPEPIOAZRUNW-UHFFFAOYSA-N
XLogP2.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile
CID 62647635
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol?
The IUPAC name of 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol (CID 110931079) is 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol.
What is the SMILES notation for 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol?
The canonical SMILES for 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol is CC(NC(CO)c1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol?
The InChIKey is PBJPEPIOAZRUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(19-16(12-22)14-8-4-3-5-9-14)18-20-15-10-6-7-11-17(15)21(18)2/h3-11,13,16,19,22H,12H2,1-2H3.
What are the key properties of 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol?
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol has a molecular weight of 295.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 110931079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).