N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C30H36Cl2F3N5O — CID 161040075

IUPACN-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC1CCN(c2cc3c(cc2Cl)nc(Cc2cc(CNC(=O)C4(C(F)(F)F)CC4)ccc2Cl)n3CCN(C)C)CC1
InChIInChI=1S/C30H36Cl2F3N5O/c1-19-6-10-39(11-7-19)25-17-26-24(16-23(25)32)37-27(40(26)13-12-38(2)3)15-21-14-20(4-5-22(21)31)18-36-28(41)29(8-9-29)30(33,34)35/h4-5,14,16-17,19H,6-13,15,18H2,1-3H3,(H,36,41)
InChIKeyUATOEAJIGGYEHA-UHFFFAOYSA-N
MW610.55 g/mol
LogP6.69
Rot. Bonds9

About N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 161040075) has the molecular formula C30H36Cl2F3N5O and a molecular weight of 610.55 g/mol. Its IUPAC name is N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID161040075
Molecular FormulaC30H36Cl2F3N5O
Molecular Weight610.55 g/mol
Exact Mass609.22
IUPAC NameN-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC1CCN(c2cc3c(cc2Cl)nc(Cc2cc(CNC(=O)C4(C(F)(F)F)CC4)ccc2Cl)n3CCN(C)C)CC1
InChIInChI=1S/C30H36Cl2F3N5O/c1-19-6-10-39(11-7-19)25-17-26-24(16-23(25)32)37-27(40(26)13-12-38(2)3)15-21-14-20(4-5-22(21)31)18-36-28(41)29(8-9-29)30(33,34)35/h4-5,14,16-17,19H,6-13,15,18H2,1-3H3,(H,36,41)
InChIKeyUATOEAJIGGYEHA-UHFFFAOYSA-N
XLogP6.69
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.55
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[4-chloro-3-[[5-chloro-6-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 148594219
N-[[4-chloro-3-[[5-chloro-1-methyl-6-(3-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 146797395
N-[[4-chloro-3-[[5-chloro-6-(4-ethylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 146838889
2-(4-bromo-N-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]anilino)-1-[2-(dimethylamino)ethyl]benzimidazole-5-carboxylic acid
CID 123842277
N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(4-methylphenyl)piperazin-1-yl]benzimidazol-2-yl]methyl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
CID 153271798
N-[[4-chloro-3-[(6-chloro-5-morpholin-4-yl-1H-benzimidazol-2-yl)amino]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 67975149
N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 163975370
2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88538424
2-[[5-(acetamidomethyl)-2-chlorophenyl]methyl]-N-(cyclohexylmethyl)-1-methylbenzimidazole-5-carboxamide
CID 159199211
N-[[4-chloro-3-[[9-chloro-5-methyl-8-[4-(trifluoromethyl)piperidin-1-yl]-3,5-diazatricyclo[6.1.1.02,6]deca-1,3,6-trien-4-yl]amino]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 89284750
N-(4-chloro-3-fluorophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methyl-6-(4-methylpiperidin-1-yl)benzimidazole-5-carboxamide
CID 149167017
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[[2,6-dichloro-3-[[(1-hydroxycyclopropanecarbonyl)amino]methyl]phenyl]methyl]-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide
CID 153241214

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 161040075) is N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC1CCN(c2cc3c(cc2Cl)nc(Cc2cc(CNC(=O)C4(C(F)(F)F)CC4)ccc2Cl)n3CCN(C)C)CC1.
What is the InChIKey of N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is UATOEAJIGGYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36Cl2F3N5O/c1-19-6-10-39(11-7-19)25-17-26-24(16-23(25)32)37-27(40(26)13-12-38(2)3)15-21-14-20(4-5-22(21)31)18-36-28(41)29(8-9-29)30(33,34)35/h4-5,14,16-17,19H,6-13,15,18H2,1-3H3,(H,36,41).
What are the key properties of N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 610.55 g/mol, XLogP of 6.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 161040075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).