2-[2-(Benzylamino)benzimidazol-1-yl]phenol

C20H17N3O — CID 164619841

IUPAC2-[2-(benzylamino)benzimidazol-1-yl]phenol
SMILESC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2C4=CC=CC=C4O
InChIInChI=1S/C20H17N3O/c24-19-13-7-6-12-18(19)23-17-11-5-4-10-16(17)22-20(23)21-14-15-8-2-1-3-9-15/h1-13,24H,14H2,(H,21,22)
InChIKeyBMLFYJGAYKNRPP-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.60
Rot. Bonds4

About 2-[2-(Benzylamino)benzimidazol-1-yl]phenol

2-[2-(Benzylamino)benzimidazol-1-yl]phenol (PubChem CID 164619841) has the molecular formula C20H17N3O and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[2-(benzylamino)benzimidazol-1-yl]phenol.

Molecular Properties

Compound Name2-[2-(Benzylamino)benzimidazol-1-yl]phenol
PubChem CID164619841
Molecular FormulaC20H17N3O
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name2-[2-(benzylamino)benzimidazol-1-yl]phenol
SMILESC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2C4=CC=CC=C4O
InChIInChI=1S/C20H17N3O/c24-19-13-7-6-12-18(19)23-17-11-5-4-10-16(17)22-20(23)21-14-15-8-2-1-3-9-15/h1-13,24H,14H2,(H,21,22)
InChIKeyBMLFYJGAYKNRPP-UHFFFAOYSA-N
XLogP4.60
TPSA50.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity398

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Desmethylastemizole
CID 155805
Jnj-2408068
CID 511013
2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
2-[[2-[[1-(2-Aminoethyl)-4-piperidyl]amino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
CID 511012
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
3-(1H-Benzoimidazol-2-yl)-phenol
CID 763204
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CID 44405888
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
3-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10357932
1-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10804748
2-[[2-(3-Aminopropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 44427436
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291

Frequently Asked Questions

What is the IUPAC name of 2-[2-(Benzylamino)benzimidazol-1-yl]phenol?
The IUPAC name of 2-[2-(Benzylamino)benzimidazol-1-yl]phenol (CID 164619841) is 2-[2-(benzylamino)benzimidazol-1-yl]phenol.
What is the SMILES notation for 2-[2-(Benzylamino)benzimidazol-1-yl]phenol?
The canonical SMILES for 2-[2-(Benzylamino)benzimidazol-1-yl]phenol is C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2C4=CC=CC=C4O.
What is the InChIKey of 2-[2-(Benzylamino)benzimidazol-1-yl]phenol?
The InChIKey is BMLFYJGAYKNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-19-13-7-6-12-18(19)23-17-11-5-4-10-16(17)22-20(23)21-14-15-8-2-1-3-9-15/h1-13,24H,14H2,(H,21,22).
What are the key properties of 2-[2-(Benzylamino)benzimidazol-1-yl]phenol?
2-[2-(Benzylamino)benzimidazol-1-yl]phenol has a molecular weight of 315.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(Benzylamino)benzimidazol-1-yl]phenol is sourced from PubChem (CID 164619841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).