5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

C14H16ClN3 — CID 61365687

IUPAC5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESClc1ccccc1-c1cnc(CC2CCCN2)[nH]1
InChIInChI=1S/C14H16ClN3/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)8-10-4-3-7-16-10/h1-2,5-6,9-10,16H,3-4,7-8H2,(H,17,18)
InChIKeyFQGDSQXFKDJSCV-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.02
Rot. Bonds3

About 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (PubChem CID 61365687) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
PubChem CID61365687
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESClc1ccccc1-c1cnc(CC2CCCN2)[nH]1
InChIInChI=1S/C14H16ClN3/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)8-10-4-3-7-16-10/h1-2,5-6,9-10,16H,3-4,7-8H2,(H,17,18)
InChIKeyFQGDSQXFKDJSCV-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 114083168
N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
CID 54925179
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366282
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
CID 116877618
3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine
CID 116881233

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (CID 61365687) is 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is Clc1ccccc1-c1cnc(CC2CCCN2)[nH]1.
What is the InChIKey of 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The InChIKey is FQGDSQXFKDJSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)8-10-4-3-7-16-10/h1-2,5-6,9-10,16H,3-4,7-8H2,(H,17,18).
What are the key properties of 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole has a molecular weight of 261.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 61365687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).