5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

C14H16IN3 — CID 114083168

IUPAC5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESIc1ccc(-c2cnc(CC3CCCN3)[nH]2)cc1
InChIInChI=1S/C14H16IN3/c15-11-5-3-10(4-6-11)13-9-17-14(18-13)8-12-2-1-7-16-12/h3-6,9,12,16H,1-2,7-8H2,(H,17,18)
InChIKeyNRKXDPXRAZSCSJ-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.98
Rot. Bonds3

About 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (PubChem CID 114083168) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
PubChem CID114083168
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC Name5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESIc1ccc(-c2cnc(CC3CCCN3)[nH]2)cc1
InChIInChI=1S/C14H16IN3/c15-11-5-3-10(4-6-11)13-9-17-14(18-13)8-12-2-1-7-16-12/h3-6,9,12,16H,1-2,7-8H2,(H,17,18)
InChIKeyNRKXDPXRAZSCSJ-UHFFFAOYSA-N
XLogP2.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
CID 116877618
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366282
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84696945
2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84698905

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (CID 114083168) is 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is Ic1ccc(-c2cnc(CC3CCCN3)[nH]2)cc1.
What is the InChIKey of 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The InChIKey is NRKXDPXRAZSCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c15-11-5-3-10(4-6-11)13-9-17-14(18-13)8-12-2-1-7-16-12/h3-6,9,12,16H,1-2,7-8H2,(H,17,18).
What are the key properties of 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole has a molecular weight of 353.21 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 114083168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).