N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide

C18H17Cl2N3OS — CID 42819585

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccs1
InChIInChI=1S/C18H17Cl2N3OS/c1-2-22(18(24)16-4-3-9-25-16)12-17-21-7-8-23(17)11-13-5-6-14(19)15(20)10-13/h3-10H,2,11-12H2,1H3
InChIKeyIBSWJPSRXSKRJH-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.96
Rot. Bonds6

About N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide

N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide (PubChem CID 42819585) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide
PubChem CID42819585
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccs1
InChIInChI=1S/C18H17Cl2N3OS/c1-2-22(18(24)16-4-3-9-25-16)12-17-21-7-8-23(17)11-13-5-6-14(19)15(20)10-13/h3-10H,2,11-12H2,1H3
InChIKeyIBSWJPSRXSKRJH-UHFFFAOYSA-N
XLogP4.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 46140102
N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42819588
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42819064
N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344
N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 42819347
N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
CID 42819032
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42820525
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-ethylthiophene-2-carboxamide
CID 42776771

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide (CID 42819585) is N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide is CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccs1.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide?
The InChIKey is IBSWJPSRXSKRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c1-2-22(18(24)16-4-3-9-25-16)12-17-21-7-8-23(17)11-13-5-6-14(19)15(20)10-13/h3-10H,2,11-12H2,1H3.
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide?
N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide has a molecular weight of 394.33 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 42819585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).