3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol

C22H21N3O3 — CID 22147021

IUPAC3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol
SMILESCOc1ccc(Nc2nc3ccc(O)cc3n2Cc2ccccc2)cc1OC
InChIInChI=1S/C22H21N3O3/c1-27-20-11-8-16(12-21(20)28-2)23-22-24-18-10-9-17(26)13-19(18)25(22)14-15-6-4-3-5-7-15/h3-13,26H,14H2,1-2H3,(H,23,24)
InChIKeyXCNOWYGUWPUBPT-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.55
Rot. Bonds6

About 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol

3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol (PubChem CID 22147021) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol.

Molecular Properties

Compound Name3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol
PubChem CID22147021
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol
SMILESCOc1ccc(Nc2nc3ccc(O)cc3n2Cc2ccccc2)cc1OC
InChIInChI=1S/C22H21N3O3/c1-27-20-11-8-16(12-21(20)28-2)23-22-24-18-10-9-17(26)13-19(18)25(22)14-15-6-4-3-5-7-15/h3-13,26H,14H2,1-2H3,(H,23,24)
InChIKeyXCNOWYGUWPUBPT-UHFFFAOYSA-N
XLogP4.55
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride
CID 19353933
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol
CID 70687050
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
diethyl 2-[[4-[(1-benzylbenzimidazol-2-yl)amino]phenyl]methyl]propanedioate
CID 146681668
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
2-(diethylaminomethyl)-5-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]phenol
CID 164609499
3-(1-benzylbenzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]propanamide
CID 66851454
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-3,4-dimethoxybenzamide
CID 16990908
1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
CID 23266662
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol?
The IUPAC name of 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol (CID 22147021) is 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol.
What is the SMILES notation for 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol?
The canonical SMILES for 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol is COc1ccc(Nc2nc3ccc(O)cc3n2Cc2ccccc2)cc1OC.
What is the InChIKey of 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol?
The InChIKey is XCNOWYGUWPUBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-20-11-8-16(12-21(20)28-2)23-22-24-18-10-9-17(26)13-19(18)25(22)14-15-6-4-3-5-7-15/h3-13,26H,14H2,1-2H3,(H,23,24).
What are the key properties of 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol?
3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol has a molecular weight of 375.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol is sourced from PubChem (CID 22147021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).