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

C13H19N3O — CID 61228731

IUPAC3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
SMILESCCCn1c(C(N)CCO)nc2ccccc21
InChIInChI=1S/C13H19N3O/c1-2-8-16-12-6-4-3-5-11(12)15-13(16)10(14)7-9-17/h3-6,10,17H,2,7-9,14H2,1H3
InChIKeyNUPAKTWHNUHDRY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.83
Rot. Bonds5

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

3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol (PubChem CID 61228731) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
PubChem CID61228731
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
SMILESCCCn1c(C(N)CCO)nc2ccccc21
InChIInChI=1S/C13H19N3O/c1-2-8-16-12-6-4-3-5-11(12)15-13(16)10(14)7-9-17/h3-6,10,17H,2,7-9,14H2,1H3
InChIKeyNUPAKTWHNUHDRY-UHFFFAOYSA-N
XLogP1.83
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol (CID 61228731) is 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol is CCCn1c(C(N)CCO)nc2ccccc21.
What is the InChIKey of 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is NUPAKTWHNUHDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-8-16-12-6-4-3-5-11(12)15-13(16)10(14)7-9-17/h3-6,10,17H,2,7-9,14H2,1H3.
What are the key properties of 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol?
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 61228731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).