2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol

C20H18ClN3O2 — CID 2881416

IUPAC2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol
SMILES[H]/N=c1/n(Cc2ccccc2Cl)c2ccccc2n1CC(O)c1ccco1
InChIInChI=1S/C20H18ClN3O2/c21-15-7-2-1-6-14(15)12-23-16-8-3-4-9-17(16)24(20(23)22)13-18(25)19-10-5-11-26-19/h1-11,18,22,25H,12-13H2/b22-20-
InChIKeyUMRCSKGRDZLJHX-XDOYNYLZSA-N
MW367.84 g/mol
LogP3.95
Rot. Bonds5

About 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol

2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol (PubChem CID 2881416) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol
PubChem CID2881416
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol
SMILES[H]/N=c1/n(Cc2ccccc2Cl)c2ccccc2n1CC(O)c1ccco1
InChIInChI=1S/C20H18ClN3O2/c21-15-7-2-1-6-14(15)12-23-16-8-3-4-9-17(16)24(20(23)22)13-18(25)19-10-5-11-26-19/h1-11,18,22,25H,12-13H2/b22-20-
InChIKeyUMRCSKGRDZLJHX-XDOYNYLZSA-N
XLogP3.95
TPSA67.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 52997623
1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
CID 3130803
(1R)-1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanol
CID 1111790
diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride
CID 44658221
methyl 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetate
CID 780689
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
(1R)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(3,4-dichlorophenyl)ethanol
CID 1121192
2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-phenylphenyl)ethanone
CID 3124402
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2979174
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 742705
1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine
CID 88546934

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol (CID 2881416) is 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol is [H]/N=c1/n(Cc2ccccc2Cl)c2ccccc2n1CC(O)c1ccco1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol?
The InChIKey is UMRCSKGRDZLJHX-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-15-7-2-1-6-14(15)12-23-16-8-3-4-9-17(16)24(20(23)22)13-18(25)19-10-5-11-26-19/h1-11,18,22,25H,12-13H2/b22-20-.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol?
2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol has a molecular weight of 367.84 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 2881416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).