7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

C24H23Cl2N5 — CID 71451021

IUPAC7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc34)[nH]c2CN2CCCC2)cc1
InChIInChI=1S/C24H23Cl2N5/c25-17-5-3-16(4-6-17)24-22(15-31-11-1-2-12-31)29-23(30-24)14-28-20-9-10-27-21-13-18(26)7-8-19(20)21/h3-10,13H,1-2,11-12,14-15H2,(H,27,28)(H,29,30)
InChIKeyQAHGKLQKZHRIAC-UHFFFAOYSA-N
MW452.39 g/mol
LogP6.14
Rot. Bonds6

About 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71451021) has the molecular formula C24H23Cl2N5 and a molecular weight of 452.39 g/mol. Its IUPAC name is 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
PubChem CID71451021
Molecular FormulaC24H23Cl2N5
Molecular Weight452.39 g/mol
Exact Mass451.13
IUPAC Name7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc34)[nH]c2CN2CCCC2)cc1
InChIInChI=1S/C24H23Cl2N5/c25-17-5-3-16(4-6-17)24-22(15-31-11-1-2-12-31)29-23(30-24)14-28-20-9-10-27-21-13-18(26)7-8-19(20)21/h3-10,13H,1-2,11-12,14-15H2,(H,27,28)(H,29,30)
InChIKeyQAHGKLQKZHRIAC-UHFFFAOYSA-N
XLogP6.14
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (CID 71451021) is 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is Clc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc34)[nH]c2CN2CCCC2)cc1.
What is the InChIKey of 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is QAHGKLQKZHRIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5/c25-17-5-3-16(4-6-17)24-22(15-31-11-1-2-12-31)29-23(30-24)14-28-20-9-10-27-21-13-18(26)7-8-19(20)21/h3-10,13H,1-2,11-12,14-15H2,(H,27,28)(H,29,30).
What are the key properties of 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 452.39 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[4-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71451021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).