N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine

C23H23ClN4 — CID 16677797

IUPACN-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESClc1ccccc1CN(CCCn1ccnc1)Cc1ccc2ncccc2c1
InChIInChI=1S/C23H23ClN4/c24-22-7-2-1-5-21(22)17-28(13-4-12-27-14-11-25-18-27)16-19-8-9-23-20(15-19)6-3-10-26-23/h1-3,5-11,14-15,18H,4,12-13,16-17H2
InChIKeyTUXUEOGLRDBKIB-UHFFFAOYSA-N
MW390.92 g/mol
LogP5.18
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine

N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine (PubChem CID 16677797) has the molecular formula C23H23ClN4 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
PubChem CID16677797
Molecular FormulaC23H23ClN4
Molecular Weight390.92 g/mol
Exact Mass390.16
IUPAC NameN-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESClc1ccccc1CN(CCCn1ccnc1)Cc1ccc2ncccc2c1
InChIInChI=1S/C23H23ClN4/c24-22-7-2-1-5-21(22)17-28(13-4-12-27-14-11-25-18-27)16-19-8-9-23-20(15-19)6-3-10-26-23/h1-3,5-11,14-15,18H,4,12-13,16-17H2
InChIKeyTUXUEOGLRDBKIB-UHFFFAOYSA-N
XLogP5.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.92
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine
CID 46962088
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 22744894
N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 16676966
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 16677048
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 113469085
5-[[(2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46962084
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671089
N-[(3,4-difluorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671123
1-propylimidazole;quinoline
CID 174946070
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655
[benzyl(3-imidazol-1-ylpropyl)amino]methanol;prop-1-yne
CID 142002586

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine (CID 16677797) is N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine is Clc1ccccc1CN(CCCn1ccnc1)Cc1ccc2ncccc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine?
The InChIKey is TUXUEOGLRDBKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4/c24-22-7-2-1-5-21(22)17-28(13-4-12-27-14-11-25-18-27)16-19-8-9-23-20(15-19)6-3-10-26-23/h1-3,5-11,14-15,18H,4,12-13,16-17H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine?
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine has a molecular weight of 390.92 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 16677797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).