1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride

C22H26Cl3N4O- — CID 53346962

IUPAC1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride
SMILES[Cl-].[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H26Cl2N4O.ClH/c23-17-9-8-16(14-18(17)24)21(29)15-28-20-7-3-2-6-19(20)27(22(28)25)13-12-26-10-4-1-5-11-26;/h2-3,6-9,14,21,25,29H,1,4-5,10-13,15H2;1H/p-1/b25-22+;
InChIKeyZVWYHVSZQIOUIZ-OSMRDGEFSA-M
MW468.84 g/mol
LogP1.45
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride

1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride (PubChem CID 53346962) has the molecular formula C22H26Cl3N4O- and a molecular weight of 468.84 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride
PubChem CID53346962
Molecular FormulaC22H26Cl3N4O-
Molecular Weight468.84 g/mol
Exact Mass467.12
IUPAC Name1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride
SMILES[Cl-].[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H26Cl2N4O.ClH/c23-17-9-8-16(14-18(17)24)21(29)15-28-20-7-3-2-6-19(20)27(22(28)25)13-12-26-10-4-1-5-11-26;/h2-3,6-9,14,21,25,29H,1,4-5,10-13,15H2;1H/p-1/b25-22+;
InChIKeyZVWYHVSZQIOUIZ-OSMRDGEFSA-M
XLogP1.45
TPSA57.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.84
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
CID 2868077
(1R)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(3,4-dichlorophenyl)ethanol
CID 1121192
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]ethanol chloride
CID 44657471
2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 52997623
(1S)-1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol
CID 1121224
1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
CID 3130803
3-[(3,4-dichlorophenyl)methyl]-2-imino-1-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 23856270
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 2952649
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
CID 72550075
(1R)-1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanol
CID 1111790
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride (CID 53346962) is 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride is [Cl-].[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride?
The InChIKey is ZVWYHVSZQIOUIZ-OSMRDGEFSA-M. The full InChI is InChI=1S/C22H26Cl2N4O.ClH/c23-17-9-8-16(14-18(17)24)21(29)15-28-20-7-3-2-6-19(20)27(22(28)25)13-12-26-10-4-1-5-11-26;/h2-3,6-9,14,21,25,29H,1,4-5,10-13,15H2;1H/p-1/b25-22+;.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride?
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride has a molecular weight of 468.84 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride is sourced from PubChem (CID 53346962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).