N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C19H21N3O3 — CID 97003008

IUPACN-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N[C@@H]3CCC[C@H]3n3ccnc3)c(C)c2c1
InChIInChI=1S/C19H21N3O3/c1-12-14-10-13(24-2)6-7-17(14)25-18(12)19(23)21-15-4-3-5-16(15)22-9-8-20-11-22/h6-11,15-16H,3-5H2,1-2H3,(H,21,23)/t15-,16-/m1/s1
InChIKeyGISFXPDNNWRUJD-HZPDHXFCSA-N
MW339.40 g/mol
LogP3.47
Rot. Bonds4

About N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 97003008) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID97003008
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N[C@@H]3CCC[C@H]3n3ccnc3)c(C)c2c1
InChIInChI=1S/C19H21N3O3/c1-12-14-10-13(24-2)6-7-17(14)25-18(12)19(23)21-15-4-3-5-16(15)22-9-8-20-11-22/h6-11,15-16H,3-5H2,1-2H3,(H,21,23)/t15-,16-/m1/s1
InChIKeyGISFXPDNNWRUJD-HZPDHXFCSA-N
XLogP3.47
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2469436
N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
CID 95760441
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
5-methoxy-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 8810753
ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134047684
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684
5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide
CID 97315987

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 97003008) is N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)N[C@@H]3CCC[C@H]3n3ccnc3)c(C)c2c1.
What is the InChIKey of N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GISFXPDNNWRUJD-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-14-10-13(24-2)6-7-17(14)25-18(12)19(23)21-15-4-3-5-16(15)22-9-8-20-11-22/h6-11,15-16H,3-5H2,1-2H3,(H,21,23)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97003008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).