N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane

C62H89Cl3N10O2 — CID 144735018

IUPACN-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane
SMILESCC.CCNc1cc(Cl)cc(C(=O)NCCc2nccn2Cc2ccc(Cl)cc2)c1C.CCNc1cc(Cl)cc(C(=O)NCc2nc(C)cn2Cc2ccccc2)c1C.CN(C)C1CCCCC1.CN(C)C1CCCCC1
InChIInChI=1S/C22H24Cl2N4O.C22H25ClN4O.2C8H17N.C2H6/c1-3-25-20-13-18(24)12-19(15(20)2)22(29)27-9-8-21-26-10-11-28(21)14-16-4-6-17(23)7-5-16;1-4-24-20-11-18(23)10-19(16(20)3)22(28)25-12-21-26-15(2)13-27(21)14-17-8-6-5-7-9-17;2*1-9(2)8-6-4-3-5-7-8;1-2/h4-7,10-13,25H,3,8-9,14H2,1-2H3,(H,27,29);5-11,13,24H,4,12,14H2,1-3H3,(H,25,28);2*8H,3-7H2,1-2H3;1-2H3
InChIKeyXTVGOGIWVMDLRL-UHFFFAOYSA-N
MW1112.82 g/mol
LogP14.30
Rot. Bonds17

About N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane

N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane (PubChem CID 144735018) has the molecular formula C62H89Cl3N10O2 and a molecular weight of 1112.82 g/mol. Its IUPAC name is N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane.

Molecular Properties

Compound NameN-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane
PubChem CID144735018
Molecular FormulaC62H89Cl3N10O2
Molecular Weight1112.82 g/mol
Exact Mass1110.62
IUPAC NameN-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane
SMILESCC.CCNc1cc(Cl)cc(C(=O)NCCc2nccn2Cc2ccc(Cl)cc2)c1C.CCNc1cc(Cl)cc(C(=O)NCc2nc(C)cn2Cc2ccccc2)c1C.CN(C)C1CCCCC1.CN(C)C1CCCCC1
InChIInChI=1S/C22H24Cl2N4O.C22H25ClN4O.2C8H17N.C2H6/c1-3-25-20-13-18(24)12-19(15(20)2)22(29)27-9-8-21-26-10-11-28(21)14-16-4-6-17(23)7-5-16;1-4-24-20-11-18(23)10-19(16(20)3)22(28)25-12-21-26-15(2)13-27(21)14-17-8-6-5-7-9-17;2*1-9(2)8-6-4-3-5-7-8;1-2/h4-7,10-13,25H,3,8-9,14H2,1-2H3,(H,27,29);5-11,13,24H,4,12,14H2,1-3H3,(H,25,28);2*8H,3-7H2,1-2H3;1-2H3
InChIKeyXTVGOGIWVMDLRL-UHFFFAOYSA-N
XLogP14.30
TPSA124.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001112.82
LogP ≤ 514.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine
CID 144654721
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;5-chloro-3-(ethylamino)-2-methyl-N-[(7-methyl-5-oxo-1H-triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;bis(N,N-dimethylcyclohexanamine);ethane
CID 144778406
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86919898
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 134027611
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 144778475
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134039849
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 86839804

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane?
The IUPAC name of N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane (CID 144735018) is N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane.
What is the SMILES notation for N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane?
The canonical SMILES for N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane is CC.CCNc1cc(Cl)cc(C(=O)NCCc2nccn2Cc2ccc(Cl)cc2)c1C.CCNc1cc(Cl)cc(C(=O)NCc2nc(C)cn2Cc2ccccc2)c1C.CN(C)C1CCCCC1.CN(C)C1CCCCC1.
What is the InChIKey of N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane?
The InChIKey is XTVGOGIWVMDLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O.C22H25ClN4O.2C8H17N.C2H6/c1-3-25-20-13-18(24)12-19(15(20)2)22(29)27-9-8-21-26-10-11-28(21)14-16-4-6-17(23)7-5-16;1-4-24-20-11-18(23)10-19(16(20)3)22(28)25-12-21-26-15(2)13-27(21)14-17-8-6-5-7-9-17;2*1-9(2)8-6-4-3-5-7-8;1-2/h4-7,10-13,25H,3,8-9,14H2,1-2H3,(H,27,29);5-11,13,24H,4,12,14H2,1-3H3,(H,25,28);2*8H,3-7H2,1-2H3;1-2H3.
What are the key properties of N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane?
N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane has a molecular weight of 1112.82 g/mol, XLogP of 14.30, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane is sourced from PubChem (CID 144735018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).