1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol

C13H19N3O — CID 3123773

IUPAC1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CC(C)O
InChIInChI=1S/C13H19N3O/c1-3-8-15-11-6-4-5-7-12(11)16(13(15)14)9-10(2)17/h4-7,10,14,17H,3,8-9H2,1-2H3/b14-13+
InChIKeyAFMYZODMVMHWJR-BUHFOSPRSA-N
MW233.32 g/mol
LogP1.71
Rot. Bonds4

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

1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol (PubChem CID 3123773) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
PubChem CID3123773
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CC(C)O
InChIInChI=1S/C13H19N3O/c1-3-8-15-11-6-4-5-7-12(11)16(13(15)14)9-10(2)17/h4-7,10,14,17H,3,8-9H2,1-2H3/b14-13+
InChIKeyAFMYZODMVMHWJR-BUHFOSPRSA-N
XLogP1.71
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 1118373
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
2-imino-3-propylbenzimidazol-1-amine;hydroiodide
CID 2853922
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine
CID 17272639
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 28593377
(2R)-1-(3-heptyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 98123592
methyl 2-[2-(2-imino-3-propylbenzimidazol-1-yl)acetyl]benzoate;hydrobromide
CID 44889409
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 28875289

Frequently Asked Questions

What is the IUPAC name of 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol (CID 3123773) is 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol is [H]/N=c1\n(CCC)c2ccccc2n1CC(C)O.
What is the InChIKey of 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is AFMYZODMVMHWJR-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-8-15-11-6-4-5-7-12(11)16(13(15)14)9-10(2)17/h4-7,10,14,17H,3,8-9H2,1-2H3/b14-13+.
What are the key properties of 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol?
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 233.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 3123773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).