3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol

C17H19N3O — CID 62672139

IUPAC3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1nc2ccccc2[nH]1)c1cccc(O)c1
InChIInChI=1S/C17H19N3O/c1-11(13-6-5-7-14(21)10-13)18-12(2)17-19-15-8-3-4-9-16(15)20-17/h3-12,18,21H,1-2H3,(H,19,20)
InChIKeyNBCANFZHFPEFLN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.68
Rot. Bonds4

About 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol

3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol (PubChem CID 62672139) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol
PubChem CID62672139
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1nc2ccccc2[nH]1)c1cccc(O)c1
InChIInChI=1S/C17H19N3O/c1-11(13-6-5-7-14(21)10-13)18-12(2)17-19-15-8-3-4-9-16(15)20-17/h3-12,18,21H,1-2H3,(H,19,20)
InChIKeyNBCANFZHFPEFLN-UHFFFAOYSA-N
XLogP3.68
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 62674077
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
2-propan-2-yl-1H-benzimidazole
CID 22121
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
CID 55104728
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
2-[(1R)-1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809073
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine
CID 62672499
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol (CID 62672139) is 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol is CC(NC(C)c1nc2ccccc2[nH]1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol?
The InChIKey is NBCANFZHFPEFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(13-6-5-7-14(21)10-13)18-12(2)17-19-15-8-3-4-9-16(15)20-17/h3-12,18,21H,1-2H3,(H,19,20).
What are the key properties of 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol?
3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 62672139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).