N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide

C19H19ClFN3OS — CID 42819113

IUPACN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)c1cccs1
InChIInChI=1S/C19H19ClFN3OS/c1-13(2)24(19(25)17-7-4-10-26-17)12-18-22-8-9-23(18)11-14-15(20)5-3-6-16(14)21/h3-10,13H,11-12H2,1-2H3
InChIKeyUWCVMWGKAVROLT-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.84
Rot. Bonds6

About N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide

N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 42819113) has the molecular formula C19H19ClFN3OS and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID42819113
Molecular FormulaC19H19ClFN3OS
Molecular Weight391.90 g/mol
Exact Mass391.09
IUPAC NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)c1cccs1
InChIInChI=1S/C19H19ClFN3OS/c1-13(2)24(19(25)17-7-4-10-26-17)12-18-22-8-9-23(18)11-14-15(20)5-3-6-16(14)21/h3-10,13H,11-12H2,1-2H3
InChIKeyUWCVMWGKAVROLT-UHFFFAOYSA-N
XLogP4.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide (CID 42819113) is N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)c1cccs1.
What is the InChIKey of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is UWCVMWGKAVROLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3OS/c1-13(2)24(19(25)17-7-4-10-26-17)12-18-22-8-9-23(18)11-14-15(20)5-3-6-16(14)21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide?
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 42819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).