N-butyl-6-iodo-1H-benzimidazol-2-amine

C11H14IN3 — CID 162670767

IUPACN-butyl-6-iodo-1H-benzimidazol-2-amine
SMILESCCCCNc1nc2ccc(I)cc2[nH]1
InChIInChI=1S/C11H14IN3/c1-2-3-6-13-11-14-9-5-4-8(12)7-10(9)15-11/h4-5,7H,2-3,6H2,1H3,(H2,13,14,15)
InChIKeyHOPIFHWBEHOUPG-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.38
Rot. Bonds4

About N-butyl-6-iodo-1H-benzimidazol-2-amine

N-butyl-6-iodo-1H-benzimidazol-2-amine (PubChem CID 162670767) has the molecular formula C11H14IN3 and a molecular weight of 315.16 g/mol. Its IUPAC name is N-butyl-6-iodo-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-6-iodo-1H-benzimidazol-2-amine
PubChem CID162670767
Molecular FormulaC11H14IN3
Molecular Weight315.16 g/mol
Exact Mass315.02
IUPAC NameN-butyl-6-iodo-1H-benzimidazol-2-amine
SMILESCCCCNc1nc2ccc(I)cc2[nH]1
InChIInChI=1S/C11H14IN3/c1-2-3-6-13-11-14-9-5-4-8(12)7-10(9)15-11/h4-5,7H,2-3,6H2,1H3,(H2,13,14,15)
InChIKeyHOPIFHWBEHOUPG-UHFFFAOYSA-N
XLogP3.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
2-butan-2-yl-6-iodo-1H-benzimidazole
CID 176683377
N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine
CID 162722217
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
6-chloro-N-(3-phenylpropyl)-1H-benzimidazol-2-amine
CID 82564399
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
[ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane
CID 70112124

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-iodo-1H-benzimidazol-2-amine?
The IUPAC name of N-butyl-6-iodo-1H-benzimidazol-2-amine (CID 162670767) is N-butyl-6-iodo-1H-benzimidazol-2-amine.
What is the SMILES notation for N-butyl-6-iodo-1H-benzimidazol-2-amine?
The canonical SMILES for N-butyl-6-iodo-1H-benzimidazol-2-amine is CCCCNc1nc2ccc(I)cc2[nH]1.
What is the InChIKey of N-butyl-6-iodo-1H-benzimidazol-2-amine?
The InChIKey is HOPIFHWBEHOUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3/c1-2-3-6-13-11-14-9-5-4-8(12)7-10(9)15-11/h4-5,7H,2-3,6H2,1H3,(H2,13,14,15).
What are the key properties of N-butyl-6-iodo-1H-benzimidazol-2-amine?
N-butyl-6-iodo-1H-benzimidazol-2-amine has a molecular weight of 315.16 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-iodo-1H-benzimidazol-2-amine is sourced from PubChem (CID 162670767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).