1-pentan-2-yl-2-propylbenzimidazol-5-amine

C15H23N3 — CID 55079982

IUPAC1-pentan-2-yl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C(C)CCC
InChIInChI=1S/C15H23N3/c1-4-6-11(3)18-14-9-8-12(16)10-13(14)17-15(18)7-5-2/h8-11H,4-7,16H2,1-3H3
InChIKeyYOERBIVFLHDVTP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.93
Rot. Bonds5

About 1-pentan-2-yl-2-propylbenzimidazol-5-amine

1-pentan-2-yl-2-propylbenzimidazol-5-amine (PubChem CID 55079982) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-pentan-2-yl-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-pentan-2-yl-2-propylbenzimidazol-5-amine
PubChem CID55079982
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-pentan-2-yl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C(C)CCC
InChIInChI=1S/C15H23N3/c1-4-6-11(3)18-14-9-8-12(16)10-13(14)17-15(18)7-5-2/h8-11H,4-7,16H2,1-3H3
InChIKeyYOERBIVFLHDVTP-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
CID 62508563
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
CID 62508066
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
CID 63959143
1-(4-hydroxybutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 83187971
1-hexan-3-yl-2-methylbenzimidazol-5-amine
CID 62506241
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
1-butan-2-yl-2-propyl-5-(trifluoromethyl)benzimidazole
CID 46309881
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
CID 62507078

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-pentan-2-yl-2-propylbenzimidazol-5-amine (CID 55079982) is 1-pentan-2-yl-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-pentan-2-yl-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-pentan-2-yl-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C(C)CCC.
What is the InChIKey of 1-pentan-2-yl-2-propylbenzimidazol-5-amine?
The InChIKey is YOERBIVFLHDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-6-11(3)18-14-9-8-12(16)10-13(14)17-15(18)7-5-2/h8-11H,4-7,16H2,1-3H3.
What are the key properties of 1-pentan-2-yl-2-propylbenzimidazol-5-amine?
1-pentan-2-yl-2-propylbenzimidazol-5-amine has a molecular weight of 245.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 55079982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).