bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride

C48H60Cl2N10O10S2 — CID 157369754

IUPACbis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride
SMILESCOc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(OS(N)(=O)=O)cc4)c3)CC2)c1.COc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(OS(N)(=O)=O)cc4)c3)CC2)c1.Cl.Cl
InChIInChI=1S/2C24H29N5O5S.2ClH/c2*1-27(20-10-12-28(13-11-20)15-18-4-3-5-22(14-18)33-2)24(30)29-16-23(26-17-29)19-6-8-21(9-7-19)34-35(25,31)32;;/h2*3-9,14,16-17,20H,10-13,15H2,1-2H3,(H2,25,31,32);2*1H
InChIKeyIDFWQQPFFMBOFJ-UHFFFAOYSA-N
MW1072.11 g/mol
LogP6.25
Rot. Bonds14

About bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride

bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride (PubChem CID 157369754) has the molecular formula C48H60Cl2N10O10S2 and a molecular weight of 1072.11 g/mol. Its IUPAC name is bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride.

Molecular Properties

Compound Namebis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride
PubChem CID157369754
Molecular FormulaC48H60Cl2N10O10S2
Molecular Weight1072.11 g/mol
Exact Mass1070.33
IUPAC Namebis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride
SMILESCOc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(OS(N)(=O)=O)cc4)c3)CC2)c1.COc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(OS(N)(=O)=O)cc4)c3)CC2)c1.Cl.Cl
InChIInChI=1S/2C24H29N5O5S.2ClH/c2*1-27(20-10-12-28(13-11-20)15-18-4-3-5-22(14-18)33-2)24(30)29-16-23(26-17-29)19-6-8-21(9-7-19)34-35(25,31)32;;/h2*3-9,14,16-17,20H,10-13,15H2,1-2H3,(H2,25,31,32);2*1H
InChIKeyIDFWQQPFFMBOFJ-UHFFFAOYSA-N
XLogP6.25
TPSA239.98 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001072.11
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide
CID 66682891
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-methoxyphenyl)-N-methylimidazole-1-carboxamide
CID 66682893
N-(1-benzylpiperidin-4-yl)-4-[4-(difluoromethoxy)phenyl]-N-methylimidazole-1-carboxamide
CID 66683255
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-methoxyphenyl)-N-[[4-[[4-[[[2-(4-fluoro-3-methoxyphenyl)-2-(methylideneamino)ethenyl]-methylcarbamoyl]-methylamino]piperidin-1-yl]methyl]phenyl]methyl]imidazole-1-carboxamide
CID 91135582
4-(1-((1-(4-fluoro-3-methoxybenzyl)piperidin-4-yl)(methyl)carbamoyl)-1H-imidazol-4-yl)phenyl sulfamate
CID 117847430
N-(1-(4-fluoro-3-methoxybenzyl)piperidin-4-yl)-4-(4-hydroxyphenyl)-N-methyl-1H-imidazole-1-carboxamide
CID 117847592
3-(1-((1-(4-fluoro-3-methoxybenzyl)piperidin-4-yl)(methyl)carbamoyl)-1H-imidazol-4-yl)phenyl sulfamate
CID 117847631
4-[1-[[1-[(4-Fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]hexa-2,4-dien-2-yl sulfamate
CID 123390234
N-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-4-(4-sulfinamoyloxyphenyl)imidazole-1-carboxamide
CID 144785570
tert-butyl 4-[2-[4-[1-[cyclohexyl(methyl)carbamoyl]imidazol-4-yl]phenoxy]ethyl]piperazine-1-carboxylate;N-cyclohexyl-N-methyl-4-[4-(2-piperazin-1-ylethoxy)phenyl]imidazole-1-carboxamide;2,2,2-trifluoroacetic acid;dihydrochloride
CID 157887641
4-(3-Methoxyphenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;1-[(2-methoxyphenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 160194899
ZINC bis([1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]-(1-methyl-2,5-dioxoimidazol-4-yl)azanide)
CID 21775238

Frequently Asked Questions

What is the IUPAC name of bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride?
The IUPAC name of bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride (CID 157369754) is bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride.
What is the SMILES notation for bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride?
The canonical SMILES for bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride is COc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(OS(N)(=O)=O)cc4)c3)CC2)c1.COc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(OS(N)(=O)=O)cc4)c3)CC2)c1.Cl.Cl.
What is the InChIKey of bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride?
The InChIKey is IDFWQQPFFMBOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29N5O5S.2ClH/c2*1-27(20-10-12-28(13-11-20)15-18-4-3-5-22(14-18)33-2)24(30)29-16-23(26-17-29)19-6-8-21(9-7-19)34-35(25,31)32;;/h2*3-9,14,16-17,20H,10-13,15H2,1-2H3,(H2,25,31,32);2*1H.
What are the key properties of bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride?
bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride has a molecular weight of 1072.11 g/mol, XLogP of 6.25, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis([4-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate);dihydrochloride is sourced from PubChem (CID 157369754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).