(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol

C19H22ClN3O2 — CID 1118373

IUPAC(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
SMILES[H]/N=c1\n(CCC)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-2-11-22-17-5-3-4-6-18(17)23(19(22)21)12-15(24)13-25-16-9-7-14(20)8-10-16/h3-10,15,21,24H,2,11-13H2,1H3/b21-19+/t15-/m1/s1
InChIKeyJAWXLNIPSCQUNM-RLBWVDARSA-N
MW359.86 g/mol
LogP3.43
Rot. Bonds7

About (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol

(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol (PubChem CID 1118373) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
PubChem CID1118373
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
SMILES[H]/N=c1\n(CCC)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-2-11-22-17-5-3-4-6-18(17)23(19(22)21)12-15(24)13-25-16-9-7-14(20)8-10-16/h3-10,15,21,24H,2,11-13H2,1H3/b21-19+/t15-/m1/s1
InChIKeyJAWXLNIPSCQUNM-RLBWVDARSA-N
XLogP3.43
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
CID 828194
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 28593377
1-(4-chlorophenoxy)-3-(2-imino-3-prop-2-enylbenzimidazol-1-yl)propan-2-ol
CID 2858826
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
(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
(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-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
1-(2-imino-3-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2947210
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 658293
1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol (CID 1118373) is (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol is [H]/N=c1\n(CCC)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is JAWXLNIPSCQUNM-RLBWVDARSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-2-11-22-17-5-3-4-6-18(17)23(19(22)21)12-15(24)13-25-16-9-7-14(20)8-10-16/h3-10,15,21,24H,2,11-13H2,1H3/b21-19+/t15-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol?
(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 359.86 g/mol, XLogP of 3.43, 7 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-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 1118373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).