2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide

C27H43Br2ClFN5O — CID 174211810

IUPAC2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide
SMILESBr.Br.CCCC(NC1CCc2cc(Cl)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1
InChIInChI=1S/C27H41ClFN5O.2BrH/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4;;/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35);2*1H
InChIKeyVRTHLJCKAZXDIX-UHFFFAOYSA-N
MW667.93 g/mol
LogP6.46
Rot. Bonds10

About 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide

2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide (PubChem CID 174211810) has the molecular formula C27H43Br2ClFN5O and a molecular weight of 667.93 g/mol. Its IUPAC name is 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide.

Molecular Properties

Compound Name2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide
PubChem CID174211810
Molecular FormulaC27H43Br2ClFN5O
Molecular Weight667.93 g/mol
Exact Mass665.15
IUPAC Name2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide
SMILESBr.Br.CCCC(NC1CCc2cc(Cl)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1
InChIInChI=1S/C27H41ClFN5O.2BrH/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4;;/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35);2*1H
InChIKeyVRTHLJCKAZXDIX-UHFFFAOYSA-N
XLogP6.46
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.93
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide?
The IUPAC name of 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide (CID 174211810) is 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide.
What is the SMILES notation for 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide?
The canonical SMILES for 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide is Br.Br.CCCC(NC1CCc2cc(Cl)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1.
What is the InChIKey of 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide?
The InChIKey is VRTHLJCKAZXDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41ClFN5O.2BrH/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4;;/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35);2*1H.
What are the key properties of 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide?
2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide has a molecular weight of 667.93 g/mol, XLogP of 6.46, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide;dihydrobromide is sourced from PubChem (CID 174211810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).