N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine

C21H20ClF2N5 — CID 78896420

IUPACN-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine
SMILESCN(Cc1nccn1C(F)F)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H20ClF2N5/c1-27(13-19-25-9-10-28(19)21(23)24)14-20-26-17-11-16(22)7-8-18(17)29(20)12-15-5-3-2-4-6-15/h2-11,21H,12-14H2,1H3
InChIKeyYNUGPCJWVPCPJL-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.96
Rot. Bonds7

About N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine

N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine (PubChem CID 78896420) has the molecular formula C21H20ClF2N5 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine
PubChem CID78896420
Molecular FormulaC21H20ClF2N5
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC NameN-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine
SMILESCN(Cc1nccn1C(F)F)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H20ClF2N5/c1-27(13-19-25-9-10-28(19)21(23)24)14-20-26-17-11-16(22)7-8-18(17)29(20)12-15-5-3-2-4-6-15/h2-11,21H,12-14H2,1H3
InChIKeyYNUGPCJWVPCPJL-UHFFFAOYSA-N
XLogP4.96
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-methylamino]methyl]benzonitrile
CID 55628284
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084278
N-(5-chloro-2-fluorophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 71986610
2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 78877135
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
CID 87013873
N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 134084372
N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine
CID 104859070
2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309076
5-chloro-2-(1-chloroethyl)-1-[(1-methylimidazol-2-yl)methyl]benzimidazole
CID 63295532
4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 87013843
1-benzyl-5-chloro-2-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzimidazole
CID 36641259
4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol
CID 30238912

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine (CID 78896420) is N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine is CN(Cc1nccn1C(F)F)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine?
The InChIKey is YNUGPCJWVPCPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N5/c1-27(13-19-25-9-10-28(19)21(23)24)14-20-26-17-11-16(22)7-8-18(17)29(20)12-15-5-3-2-4-6-15/h2-11,21H,12-14H2,1H3.
What are the key properties of N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine?
N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine has a molecular weight of 415.88 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 78896420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).