5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine

C15H21IN4 — CID 66082189

IUPAC5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(I)ccc21)N1CCCCC1
InChIInChI=1S/C15H21IN4/c1-11(19-7-3-2-4-8-19)10-20-14-6-5-12(16)9-13(14)18-15(20)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyBNVHULGGOAUPSQ-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.10
Rot. Bonds3

About 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine

5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine (PubChem CID 66082189) has the molecular formula C15H21IN4 and a molecular weight of 384.27 g/mol. Its IUPAC name is 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
PubChem CID66082189
Molecular FormulaC15H21IN4
Molecular Weight384.27 g/mol
Exact Mass384.08
IUPAC Name5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(I)ccc21)N1CCCCC1
InChIInChI=1S/C15H21IN4/c1-11(19-7-3-2-4-8-19)10-20-14-6-5-12(16)9-13(14)18-15(20)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyBNVHULGGOAUPSQ-UHFFFAOYSA-N
XLogP3.10
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66101974
6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 116738265
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
5-iodo-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 66080022
5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine
CID 104591883
5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine
CID 66081003
1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine
CID 66080783
5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
CID 62993390
5-iodo-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 80612024
2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
CID 104718908
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
5-iodo-1-(2-pyridin-4-ylethyl)benzimidazol-2-amine
CID 66080794

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine (CID 66082189) is 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine is CC(Cn1c(N)nc2cc(I)ccc21)N1CCCCC1.
What is the InChIKey of 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The InChIKey is BNVHULGGOAUPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN4/c1-11(19-7-3-2-4-8-19)10-20-14-6-5-12(16)9-13(14)18-15(20)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,17,18).
What are the key properties of 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine has a molecular weight of 384.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 66082189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).