5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

C14H16ClN3 — CID 138691138

IUPAC5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
SMILESCc1c(Cl)cccc1-c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C14H16ClN3/c1-9-10(4-2-5-11(9)15)13-8-17-14(18-13)12-6-3-7-16-12/h2,4-5,8,12,16H,3,6-7H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyJPKHUBLJWGTZHQ-LBPRGKRZSA-N
MW261.76 g/mol
LogP3.46
Rot. Bonds2

About 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole (PubChem CID 138691138) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
PubChem CID138691138
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
SMILESCc1c(Cl)cccc1-c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C14H16ClN3/c1-9-10(4-2-5-11(9)15)13-8-17-14(18-13)12-6-3-7-16-12/h2,4-5,8,12,16H,3,6-7H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyJPKHUBLJWGTZHQ-LBPRGKRZSA-N
XLogP3.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole (CID 138691138) is 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole is Cc1c(Cl)cccc1-c1cnc([C@@H]2CCCN2)[nH]1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is JPKHUBLJWGTZHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-10(4-2-5-11(9)15)13-8-17-14(18-13)12-6-3-7-16-12/h2,4-5,8,12,16H,3,6-7H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 261.76 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 138691138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).