5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine

C14H19IN4 — CID 66081003

IUPAC5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine
SMILESCN1CCCCC1Cn1c(N)nc2cc(I)ccc21
InChIInChI=1S/C14H19IN4/c1-18-7-3-2-4-11(18)9-19-13-6-5-10(15)8-12(13)17-14(19)16/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyFQPMLOLZZWHNAZ-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.71
Rot. Bonds2

About 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine

5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine (PubChem CID 66081003) has the molecular formula C14H19IN4 and a molecular weight of 370.24 g/mol. Its IUPAC name is 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine
PubChem CID66081003
Molecular FormulaC14H19IN4
Molecular Weight370.24 g/mol
Exact Mass370.07
IUPAC Name5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine
SMILESCN1CCCCC1Cn1c(N)nc2cc(I)ccc21
InChIInChI=1S/C14H19IN4/c1-18-7-3-2-4-11(18)9-19-13-6-5-10(15)8-12(13)17-14(19)16/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyFQPMLOLZZWHNAZ-UHFFFAOYSA-N
XLogP2.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.71
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

2-(1-chloroethyl)-5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazole
CID 66081650
5-iodo-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 80612024
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819
1-[(1,1-dioxothiolan-2-yl)methyl]-5-iodobenzimidazol-2-amine
CID 81040834
5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66082189
5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine
CID 66080614
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine
CID 66082195
1-(cyclopentylmethyl)-5-methylbenzimidazol-2-amine
CID 43662072
1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine
CID 66080783
1-(3-ethylsulfanylpropyl)-5-iodobenzimidazol-2-amine
CID 114248498
2-(chloromethyl)-5-methoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020520
1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine (CID 66081003) is 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine is CN1CCCCC1Cn1c(N)nc2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is FQPMLOLZZWHNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN4/c1-18-7-3-2-4-11(18)9-19-13-6-5-10(15)8-12(13)17-14(19)16/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,17).
What are the key properties of 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine?
5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 370.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 66081003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).