1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride

C18H21Cl2N3O — CID 2868453

IUPAC1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O.ClH/c1-2-11-21-15-5-3-4-6-16(15)22(18(21)20)12-17(23)13-7-9-14(19)10-8-13;/h3-10,17,20,23H,2,11-12H2,1H3;1H/b20-18+;
InChIKeyLJZXIONACJHDJO-KPJFUTMLSA-N
MW366.29 g/mol
LogP4.14
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride

1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride (PubChem CID 2868453) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
PubChem CID2868453
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O.ClH/c1-2-11-21-15-5-3-4-6-16(15)22(18(21)20)12-17(23)13-7-9-14(19)10-8-13;/h3-10,17,20,23H,2,11-12H2,1H3;1H/b20-18+;
InChIKeyLJZXIONACJHDJO-KPJFUTMLSA-N
XLogP4.14
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 1118373
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 3123773
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
(1S)-1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol
CID 1121224
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
CID 1111782
(1R)-1-(3,4-dimethoxyphenyl)-2-(3-hexadecyl-2-iminobenzimidazol-1-yl)ethanol
CID 98130219
1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol
CID 71079180
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride (CID 2868453) is 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride is Cl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride?
The InChIKey is LJZXIONACJHDJO-KPJFUTMLSA-N. The full InChI is InChI=1S/C18H20ClN3O.ClH/c1-2-11-21-15-5-3-4-6-16(15)22(18(21)20)12-17(23)13-7-9-14(19)10-8-13;/h3-10,17,20,23H,2,11-12H2,1H3;1H/b20-18+;.
What are the key properties of 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride?
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride has a molecular weight of 366.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 2868453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).