3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol

C17H27N3O — CID 114357790

IUPAC3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
SMILESCCCc1nc2ccccc2n1C(CO)C(N)C(C)(C)C
InChIInChI=1S/C17H27N3O/c1-5-8-15-19-12-9-6-7-10-13(12)20(15)14(11-21)16(18)17(2,3)4/h6-7,9-10,14,16,21H,5,8,11,18H2,1-4H3
InChIKeyJUEGNPLMBMZXGA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol

3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol (PubChem CID 114357790) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
PubChem CID114357790
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
SMILESCCCc1nc2ccccc2n1C(CO)C(N)C(C)(C)C
InChIInChI=1S/C17H27N3O/c1-5-8-15-19-12-9-6-7-10-13(12)20(15)14(11-21)16(18)17(2,3)4/h6-7,9-10,14,16,21H,5,8,11,18H2,1-4H3
InChIKeyJUEGNPLMBMZXGA-UHFFFAOYSA-N
XLogP2.90
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
CID 112632091
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine
CID 115970648
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
CID 115970772
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970638
2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol (CID 114357790) is 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol is CCCc1nc2ccccc2n1C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol?
The InChIKey is JUEGNPLMBMZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-8-15-19-12-9-6-7-10-13(12)20(15)14(11-21)16(18)17(2,3)4/h6-7,9-10,14,16,21H,5,8,11,18H2,1-4H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol?
3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol is sourced from PubChem (CID 114357790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).