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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Related Compounds

2-(1-Benzylimidazol-2-yl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 16266624
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 8050050
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 45981733
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-cyclopropylthiophene-2-carboxamide
CID 46139646
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 46139795
N-[(2-chloro-4-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 8040940
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 8050235
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylthiophene-2-carboxamide
CID 8052258
N-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 8058679
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide
CID 8058858
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42819108
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 42819113

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).