3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol

C14H21N3O — CID 107835397

IUPAC3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
SMILESCCCn1c(C(O)CCN)nc2cc(C)ccc21
InChIInChI=1S/C14H21N3O/c1-3-8-17-12-5-4-10(2)9-11(12)16-14(17)13(18)6-7-15/h4-5,9,13,18H,3,6-8,15H2,1-2H3
InChIKeyGKQHWGBPJAXVHC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol

3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol (PubChem CID 107835397) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
PubChem CID107835397
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
SMILESCCCn1c(C(O)CCN)nc2cc(C)ccc21
InChIInChI=1S/C14H21N3O/c1-3-8-17-12-5-4-10(2)9-11(12)16-14(17)13(18)6-7-15/h4-5,9,13,18H,3,6-8,15H2,1-2H3
InChIKeyGKQHWGBPJAXVHC-UHFFFAOYSA-N
XLogP2.14
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
CID 107835396
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539744
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
CID 60785614
4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333098
2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
CID 62675893

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol (CID 107835397) is 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol is CCCn1c(C(O)CCN)nc2cc(C)ccc21.
What is the InChIKey of 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is GKQHWGBPJAXVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-8-17-12-5-4-10(2)9-11(12)16-14(17)13(18)6-7-15/h4-5,9,13,18H,3,6-8,15H2,1-2H3.
What are the key properties of 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol?
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 107835397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).