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

C20H19Cl2N3OS — CID 46140102

IUPACN-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1
InChIInChI=1S/C20H19Cl2N3OS/c21-16-6-5-15(10-17(16)22)12-24-8-7-23-19(24)13-25(11-14-3-4-14)20(26)18-2-1-9-27-18/h1-2,5-10,14H,3-4,11-13H2
InChIKeyANABHIQNGYESAS-UHFFFAOYSA-N
MW420.37 g/mol
LogP5.35
Rot. Bonds7

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

N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 46140102) has the molecular formula C20H19Cl2N3OS and a molecular weight of 420.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID46140102
Molecular FormulaC20H19Cl2N3OS
Molecular Weight420.37 g/mol
Exact Mass419.06
IUPAC NameN-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1
InChIInChI=1S/C20H19Cl2N3OS/c21-16-6-5-15(10-17(16)22)12-24-8-7-23-19(24)13-25(11-14-3-4-14)20(26)18-2-1-9-27-18/h1-2,5-10,14H,3-4,11-13H2
InChIKeyANABHIQNGYESAS-UHFFFAOYSA-N
XLogP5.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide (CID 46140102) is N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ANABHIQNGYESAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3OS/c21-16-6-5-15(10-17(16)22)12-24-8-7-23-19(24)13-25(11-14-3-4-14)20(26)18-2-1-9-27-18/h1-2,5-10,14H,3-4,11-13H2.
What are the key properties of N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide?
N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 420.37 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46140102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).