(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol

C23H32N4O3 — CID 1002768

IUPAC(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
SMILES[H]/N=c1\n(CCN(CC)CC)c2ccccc2n1C[C@H](O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H32N4O3/c1-5-25(6-2)13-14-26-18-9-7-8-10-19(18)27(23(26)24)16-20(28)17-11-12-21(29-3)22(15-17)30-4/h7-12,15,20,24,28H,5-6,13-14,16H2,1-4H3/b24-23+/t20-/m0/s1
InChIKeyIJVTWTIBZLNBPS-TWMRLEJJSA-N
MW412.53 g/mol
LogP3.01
Rot. Bonds10

About (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol

(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol (PubChem CID 1002768) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
PubChem CID1002768
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
SMILES[H]/N=c1\n(CCN(CC)CC)c2ccccc2n1C[C@H](O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H32N4O3/c1-5-25(6-2)13-14-26-18-9-7-8-10-19(18)27(23(26)24)16-20(28)17-11-12-21(29-3)22(15-17)30-4/h7-12,15,20,24,28H,5-6,13-14,16H2,1-4H3/b24-23+/t20-/m0/s1
InChIKeyIJVTWTIBZLNBPS-TWMRLEJJSA-N
XLogP3.01
TPSA75.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol with MolForge

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Related Compounds

(1S)-1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol
CID 1121224
(1R)-1-(3,4-dimethoxyphenyl)-2-(3-hexadecyl-2-iminobenzimidazol-1-yl)ethanol
CID 98130219
2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride
CID 44658914
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772
(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
CID 1111782
(1S)-2,2,2-trichloro-1-[4-[2-(diethylamino)ethyl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanol
CID 1203393
1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol
CID 12025048
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 3123773
(1R)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(3,4-dichlorophenyl)ethanol
CID 1121192

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol (CID 1002768) is (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol is [H]/N=c1\n(CCN(CC)CC)c2ccccc2n1C[C@H](O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is IJVTWTIBZLNBPS-TWMRLEJJSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-5-25(6-2)13-14-26-18-9-7-8-10-19(18)27(23(26)24)16-20(28)17-11-12-21(29-3)22(15-17)30-4/h7-12,15,20,24,28H,5-6,13-14,16H2,1-4H3/b24-23+/t20-/m0/s1.
What are the key properties of (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol?
(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 412.53 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 1002768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).