N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C19H19N3OS — CID 31815067

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCC2
InChIInChI=1S/C19H19N3OS/c23-19(18-10-14-6-3-7-17(14)24-18)21-11-15-4-1-2-5-16(15)12-22-9-8-20-13-22/h1-2,4-5,8-10,13H,3,6-7,11-12H2,(H,21,23)
InChIKeyDIZNEVNXUCXWPS-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.41
Rot. Bonds5

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 31815067) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID31815067
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCC2
InChIInChI=1S/C19H19N3OS/c23-19(18-10-14-6-3-7-17(14)24-18)21-11-15-4-1-2-5-16(15)12-22-9-8-20-13-22/h1-2,4-5,8-10,13H,3,6-7,11-12H2,(H,21,23)
InChIKeyDIZNEVNXUCXWPS-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 55476034
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
N-(pyrimidin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 166229920
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 110932711
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 86926425
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167937044
N-(1H-pyrrol-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114182035
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
CID 55507398

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 31815067) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCC2.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is DIZNEVNXUCXWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(18-10-14-6-3-7-17(14)24-18)21-11-15-4-1-2-5-16(15)12-22-9-8-20-13-22/h1-2,4-5,8-10,13H,3,6-7,11-12H2,(H,21,23).
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 31815067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).