2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine

C17H26N4 — CID 62508563

IUPAC2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C(C)CN1CCCC1
InChIInChI=1S/C17H26N4/c1-3-6-17-19-15-11-14(18)7-8-16(15)21(17)13(2)12-20-9-4-5-10-20/h7-8,11,13H,3-6,9-10,12,18H2,1-2H3
InChIKeyVMHARDLKAXDHBR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.23
Rot. Bonds5

About 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine

2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine (PubChem CID 62508563) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
PubChem CID62508563
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C(C)CN1CCCC1
InChIInChI=1S/C17H26N4/c1-3-6-17-19-15-11-14(18)7-8-16(15)21(17)13(2)12-20-9-4-5-10-20/h7-8,11,13H,3-6,9-10,12,18H2,1-2H3
InChIKeyVMHARDLKAXDHBR-UHFFFAOYSA-N
XLogP3.23
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.23
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

1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
CID 62507078
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
1-piperidin-1-yl-2-propylbenzimidazol-5-amine
CID 83025271
1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
CID 62508066
5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine
CID 61474789
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
CID 63959143
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine?
The IUPAC name of 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine (CID 62508563) is 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine.
What is the SMILES notation for 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine?
The canonical SMILES for 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C(C)CN1CCCC1.
What is the InChIKey of 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine?
The InChIKey is VMHARDLKAXDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-6-17-19-15-11-14(18)7-8-16(15)21(17)13(2)12-20-9-4-5-10-20/h7-8,11,13H,3-6,9-10,12,18H2,1-2H3.
What are the key properties of 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine?
2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 62508563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).