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

C14H16ClN3 — CID 61366673

IUPAC5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESClc1ccc(-c2cnc(CC3CCCN3)[nH]2)cc1
InChIInChI=1S/C14H16ClN3/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)
InChIKeySMTNIRDUMULRAD-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.02
Rot. Bonds3

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

5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (PubChem CID 61366673) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
PubChem CID61366673
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESClc1ccc(-c2cnc(CC3CCCN3)[nH]2)cc1
InChIInChI=1S/C14H16ClN3/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)
InChIKeySMTNIRDUMULRAD-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-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 114083168
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
CID 116877618
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366282
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
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
2-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
CID 96610326

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (CID 61366673) is 5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is Clc1ccc(-c2cnc(CC3CCCN3)[nH]2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The InChIKey is SMTNIRDUMULRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/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-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
5-(4-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-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 61366673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).