N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

C22H25ClN4O2S — CID 42819064

IUPACN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCN1CCOCC1)Cc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C22H25ClN4O2S/c23-19-5-2-1-4-18(19)16-26-8-7-24-21(26)17-27(22(28)20-6-3-15-30-20)10-9-25-11-13-29-14-12-25/h1-8,15H,9-14,16-17H2
InChIKeyULKWMXFUGDBLRP-UHFFFAOYSA-N
MW444.99 g/mol
LogP3.62
Rot. Bonds8

About N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 42819064) has the molecular formula C22H25ClN4O2S and a molecular weight of 444.99 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID42819064
Molecular FormulaC22H25ClN4O2S
Molecular Weight444.99 g/mol
Exact Mass444.14
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCN1CCOCC1)Cc1nccn1Cc1ccccc1Cl
InChIInChI=1S/C22H25ClN4O2S/c23-19-5-2-1-4-18(19)16-26-8-7-24-21(26)17-27(22(28)20-6-3-15-30-20)10-9-25-11-13-29-14-12-25/h1-8,15H,9-14,16-17H2
InChIKeyULKWMXFUGDBLRP-UHFFFAOYSA-N
XLogP3.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.99
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 42819064) is N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(CCN1CCOCC1)Cc1nccn1Cc1ccccc1Cl.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is ULKWMXFUGDBLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2S/c23-19-5-2-1-4-18(19)16-26-8-7-24-21(26)17-27(22(28)20-6-3-15-30-20)10-9-25-11-13-29-14-12-25/h1-8,15H,9-14,16-17H2.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 444.99 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 42819064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).