(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol

C18H20ClN3O2 — CID 828194

IUPAC(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
SMILES[H]/N=c1\n(CC)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-2-21-16-5-3-4-6-17(16)22(18(21)20)11-14(23)12-24-15-9-7-13(19)8-10-15/h3-10,14,20,23H,2,11-12H2,1H3/b20-18+/t14-/m1/s1
InChIKeyKQSAGMZSPCTLJX-NXHAUGRDSA-N
MW345.83 g/mol
LogP3.04
Rot. Bonds6

About (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol

(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol (PubChem CID 828194) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
PubChem CID828194
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
SMILES[H]/N=c1\n(CC)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-2-21-16-5-3-4-6-17(16)22(18(21)20)11-14(23)12-24-15-9-7-13(19)8-10-15/h3-10,14,20,23H,2,11-12H2,1H3/b20-18+/t14-/m1/s1
InChIKeyKQSAGMZSPCTLJX-NXHAUGRDSA-N
XLogP3.04
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3-ethyl-2-iminobenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride
CID 53314599
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
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(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 28593377
(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772
(2R)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745112
(2S)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745110
1-(2-imino-3-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2947210
(2R)-1-(3-heptyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 98123592
(2R)-1-(3-hexyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 28821718
1-[3-[(4-bromophenyl)methyl]-2-iminobenzimidazol-1-yl]-3-(4-fluorophenoxy)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol (CID 828194) is (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol is [H]/N=c1\n(CC)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol?
The InChIKey is KQSAGMZSPCTLJX-NXHAUGRDSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-21-16-5-3-4-6-17(16)22(18(21)20)11-14(23)12-24-15-9-7-13(19)8-10-15/h3-10,14,20,23H,2,11-12H2,1H3/b20-18+/t14-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol?
(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol has a molecular weight of 345.83 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 828194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).