3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol

C16H25N3O — CID 106176317

IUPAC3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol
SMILESCCCc1nc2cc(N)ccc2n1C(C)(CC)CCO
InChIInChI=1S/C16H25N3O/c1-4-6-15-18-13-11-12(17)7-8-14(13)19(15)16(3,5-2)9-10-20/h7-8,11,20H,4-6,9-10,17H2,1-3H3
InChIKeyYMROJCXDWBADLV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.08
Rot. Bonds6

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

3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol (PubChem CID 106176317) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol
PubChem CID106176317
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol
SMILESCCCc1nc2cc(N)ccc2n1C(C)(CC)CCO
InChIInChI=1S/C16H25N3O/c1-4-6-15-18-13-11-12(17)7-8-14(13)19(15)16(3,5-2)9-10-20/h7-8,11,20H,4-6,9-10,17H2,1-3H3
InChIKeyYMROJCXDWBADLV-UHFFFAOYSA-N
XLogP3.08
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol
CID 106329546
1-(3-methylpentan-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 106329553
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole
CID 114174450
1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
CID 63496681

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol?
The IUPAC name of 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol (CID 106176317) is 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol?
The canonical SMILES for 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol is CCCc1nc2cc(N)ccc2n1C(C)(CC)CCO.
What is the InChIKey of 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol?
The InChIKey is YMROJCXDWBADLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-6-15-18-13-11-12(17)7-8-14(13)19(15)16(3,5-2)9-10-20/h7-8,11,20H,4-6,9-10,17H2,1-3H3.
What are the key properties of 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol?
3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol has a molecular weight of 275.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 106176317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).