2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol

C17H19N3O3 — CID 133410382

IUPAC2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-22-15-8-7-11(9-16(15)23-2)14(21)10-18-17-19-12-5-3-4-6-13(12)20-17/h3-9,14,21H,10H2,1-2H3,(H2,18,19,20)
InChIKeyRUZZPBUOXRQOJT-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.73
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol

2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol (PubChem CID 133410382) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
PubChem CID133410382
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-22-15-8-7-11(9-16(15)23-2)14(21)10-18-17-19-12-5-3-4-6-13(12)20-17/h3-9,14,21H,10H2,1-2H3,(H2,18,19,20)
InChIKeyRUZZPBUOXRQOJT-UHFFFAOYSA-N
XLogP2.73
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
CID 133410527
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
CID 133410006
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
2-(1H-benzimidazol-2-ylamino)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 133410353
1-(4-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol
CID 82562545
(1R)-2-[(3-chloro-4-pyridinyl)amino]-1-(3,4-dimethoxyphenyl)ethanol
CID 97221871
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol (CID 133410382) is 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol is COc1ccc(C(O)CNc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is RUZZPBUOXRQOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-15-8-7-11(9-16(15)23-2)14(21)10-18-17-19-12-5-3-4-6-13(12)20-17/h3-9,14,21H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol?
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 313.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 133410382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).