1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine

C15H23IN4 — CID 66080783

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine
SMILESCC(C)N(CCn1c(N)nc2cc(I)ccc21)C(C)C
InChIInChI=1S/C15H23IN4/c1-10(2)19(11(3)4)7-8-20-14-6-5-12(16)9-13(14)18-15(20)17/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18)
InChIKeyNMIRHGODXKNPLB-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine

1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine (PubChem CID 66080783) has the molecular formula C15H23IN4 and a molecular weight of 386.28 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine
PubChem CID66080783
Molecular FormulaC15H23IN4
Molecular Weight386.28 g/mol
Exact Mass386.10
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine
SMILESCC(C)N(CCn1c(N)nc2cc(I)ccc21)C(C)C
InChIInChI=1S/C15H23IN4/c1-10(2)19(11(3)4)7-8-20-14-6-5-12(16)9-13(14)18-15(20)17/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18)
InChIKeyNMIRHGODXKNPLB-UHFFFAOYSA-N
XLogP3.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.34
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

5-iodo-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 66080022
1-(3-ethylsulfanylpropyl)-5-iodobenzimidazol-2-amine
CID 114248498
5-iodo-1-(2-phenylpropyl)benzimidazol-2-amine
CID 104591883
5-iodo-1-(2-pyridin-4-ylethyl)benzimidazol-2-amine
CID 66080794
5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106419713
1-[2-(3,5-difluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66082390
5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine
CID 66080614
ethyl 3-(2-amino-5-iodobenzimidazol-1-yl)propanoate
CID 66080213
5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66082189
5-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]benzimidazol-2-amine
CID 106035839
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-iodobenzimidazol-2-amine
CID 106036111
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine (CID 66080783) is 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine is CC(C)N(CCn1c(N)nc2cc(I)ccc21)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine?
The InChIKey is NMIRHGODXKNPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN4/c1-10(2)19(11(3)4)7-8-20-14-6-5-12(16)9-13(14)18-15(20)17/h5-6,9-11H,7-8H2,1-4H3,(H2,17,18).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine?
1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine has a molecular weight of 386.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66080783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).