1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol

C13H19N3O — CID 60785614

IUPAC1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
SMILESCCn1c(C(N)C(C)O)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3O/c1-4-16-11-6-5-8(2)7-10(11)15-13(16)12(14)9(3)17/h5-7,9,12,17H,4,14H2,1-3H3
InChIKeyCJUQNFAEPJSMCH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds3

About 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol

1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol (PubChem CID 60785614) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
PubChem CID60785614
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
SMILESCCn1c(C(N)C(C)O)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3O/c1-4-16-11-6-5-8(2)7-10(11)15-13(16)12(14)9(3)17/h5-7,9,12,17H,4,14H2,1-3H3
InChIKeyCJUQNFAEPJSMCH-UHFFFAOYSA-N
XLogP1.75
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82332995
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2-bromo-1-ethyl-5-methylbenzimidazole
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3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
4-[2-(1-aminoethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333004
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919779
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
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2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol (CID 60785614) is 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol is CCn1c(C(N)C(C)O)nc2cc(C)ccc21.
What is the InChIKey of 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is CJUQNFAEPJSMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-16-11-6-5-8(2)7-10(11)15-13(16)12(14)9(3)17/h5-7,9,12,17H,4,14H2,1-3H3.
What are the key properties of 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol?
1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 233.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 60785614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).