1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine

C17H28N4 — CID 62508066

IUPAC1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C(CN(C)C)C(C)C
InChIInChI=1S/C17H28N4/c1-6-7-17-19-14-10-13(18)8-9-15(14)21(17)16(12(2)3)11-20(4)5/h8-10,12,16H,6-7,11,18H2,1-5H3
InChIKeyUCZQGLCZUNQKFV-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.33
Rot. Bonds6

About 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine

1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine (PubChem CID 62508066) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
PubChem CID62508066
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C(CN(C)C)C(C)C
InChIInChI=1S/C17H28N4/c1-6-7-17-19-14-10-13(18)8-9-15(14)21(17)16(12(2)3)11-20(4)5/h8-10,12,16H,6-7,11,18H2,1-5H3
InChIKeyUCZQGLCZUNQKFV-UHFFFAOYSA-N
XLogP3.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
CID 62508563
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N,N,3-trimethylbutan-1-amine
CID 66081448
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
CID 63959143
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine
CID 62508219
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
1-piperidin-1-yl-2-propylbenzimidazol-5-amine
CID 83025271

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine (CID 62508066) is 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C(CN(C)C)C(C)C.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine?
The InChIKey is UCZQGLCZUNQKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-6-7-17-19-14-10-13(18)8-9-15(14)21(17)16(12(2)3)11-20(4)5/h8-10,12,16H,6-7,11,18H2,1-5H3.
What are the key properties of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine?
1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine has a molecular weight of 288.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 62508066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).