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

C19H17ClFN3OS — CID 46139646

IUPACN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1nccn1Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C19H17ClFN3OS/c20-15-3-1-4-16(21)14(15)11-23-9-8-22-18(23)12-24(13-6-7-13)19(25)17-5-2-10-26-17/h1-5,8-10,13H,6-7,11-12H2
InChIKeyAKNFPWZNGUUXNW-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.59
Rot. Bonds6

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

N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 46139646) has the molecular formula C19H17ClFN3OS and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide
PubChem CID46139646
Molecular FormulaC19H17ClFN3OS
Molecular Weight389.88 g/mol
Exact Mass389.08
IUPAC NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1nccn1Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C19H17ClFN3OS/c20-15-3-1-4-16(21)14(15)11-23-9-8-22-18(23)12-24(13-6-7-13)19(25)17-5-2-10-26-17/h1-5,8-10,13H,6-7,11-12H2
InChIKeyAKNFPWZNGUUXNW-UHFFFAOYSA-N
XLogP4.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide (CID 46139646) is N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide is O=C(c1cccs1)N(Cc1nccn1Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is AKNFPWZNGUUXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3OS/c20-15-3-1-4-16(21)14(15)11-23-9-8-22-18(23)12-24(13-6-7-13)19(25)17-5-2-10-26-17/h1-5,8-10,13H,6-7,11-12H2.
What are the key properties of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide?
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 4.59, 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-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 46139646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).