7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole

C43H40BrCl2F5N10O4 — CID 160573389

IUPAC7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole
SMILESCC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3ccnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.[2H]CF.c1c[nH]cn1
InChIInChI=1S/C21H18ClF2N5O2.C18H15BrClF2N3O2.C3H4N2.CH3F/c1-13(2)29-12-26-17-9-14(10-18(19(17)29)28-8-7-25-11-28)20(30)27-15-3-5-16(6-4-15)31-21(22,23)24;1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22;1-2-5-3-4-1;1-2/h3-13H,1-2H3,(H,27,30);3-10H,1-2H3,(H,24,26);1-3H,(H,4,5);1H3/i;;;1D
InChIKeyRAVDGCXTKCTJQO-PBJKEDEQSA-N
MW1007.67 g/mol
LogP12.02
Rot. Bonds11

About 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole (PubChem CID 160573389) has the molecular formula C43H40BrCl2F5N10O4 and a molecular weight of 1007.67 g/mol. Its IUPAC name is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole.

Molecular Properties

Compound Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole
PubChem CID160573389
Molecular FormulaC43H40BrCl2F5N10O4
Molecular Weight1007.67 g/mol
Exact Mass1005.18
IUPAC Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole
SMILESCC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3ccnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.[2H]CF.c1c[nH]cn1
InChIInChI=1S/C21H18ClF2N5O2.C18H15BrClF2N3O2.C3H4N2.CH3F/c1-13(2)29-12-26-17-9-14(10-18(19(17)29)28-8-7-25-11-28)20(30)27-15-3-5-16(6-4-15)31-21(22,23)24;1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22;1-2-5-3-4-1;1-2/h3-13H,1-2H3,(H,27,30);3-10H,1-2H3,(H,24,26);1-3H,(H,4,5);1H3/i;;;1D
InChIKeyRAVDGCXTKCTJQO-PBJKEDEQSA-N
XLogP12.02
TPSA158.80 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.67
LogP ≤ 512.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole with MolForge

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Related Compounds

7-Bromo-N-[4-(chlorodifluoromethoxy)phenyl]-1-isopropyl-1H-benzo[D]imidazole-5-carboxamide
CID 146458685
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide
CID 146458608
US12240835, Example 11
CID 146458594
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 146458738
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide
CID 146458741
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(5-oxopyrrolidin-3-yl)benzimidazole-5-carboxamide
CID 146458742
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-3H-benzimidazole-5-carboxamide
CID 176315226
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;5-cyclopropyl-1H-imidazole;deuterio(fluoro)methane
CID 159007669
7-amino-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-[2-(4-methoxyphenyl)ethyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(1,2,4-triazol-4-yl)benzimidazole-5-carboxamide;N-(2-oxoethyl)formamide
CID 159341905
lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxamide;7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylic acid;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;1-(3,4-diamino-5-bromophenyl)ethanone;2,2-difluoroacetic acid;methane;methyl 7-bromo-2-(difluoromethyl)-3H-benzimidazole-5-carboxylate;methyl 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylate;pyrimidin-5-ylboronic acid;hydroxide;hydrate
CID 159895697
3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-(propan-2-ylamino)benzamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid;tetramethoxymethane
CID 160148912
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-3H-benzimidazole-5-carboxamide;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)benzimidazole-5-carboxamide;1-chloro-3-cyclopropylpropan-2-one;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-cyclopropyl-2-oxopropyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;pyrimidin-5-ylboronic acid
CID 161295090

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole?
The IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole (CID 160573389) is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole.
What is the SMILES notation for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole?
The canonical SMILES for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole is CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3ccnc3)c21.CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.[2H]CF.c1c[nH]cn1.
What is the InChIKey of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole?
The InChIKey is RAVDGCXTKCTJQO-PBJKEDEQSA-N. The full InChI is InChI=1S/C21H18ClF2N5O2.C18H15BrClF2N3O2.C3H4N2.CH3F/c1-13(2)29-12-26-17-9-14(10-18(19(17)29)28-8-7-25-11-28)20(30)27-15-3-5-16(6-4-15)31-21(22,23)24;1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22;1-2-5-3-4-1;1-2/h3-13H,1-2H3,(H,27,30);3-10H,1-2H3,(H,24,26);1-3H,(H,4,5);1H3/i;;;1D.
What are the key properties of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole?
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole has a molecular weight of 1007.67 g/mol, XLogP of 12.02, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide;deuterio(fluoro)methane;1H-imidazole is sourced from PubChem (CID 160573389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).