(3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C19H24N4O — CID 166308946

IUPAC(3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCc1cccc(-c2cnc(CNC(=O)N3C[C@H]4CCC[C@H]4C3)[nH]2)c1
InChIInChI=1S/C19H24N4O/c1-13-4-2-5-14(8-13)17-9-20-18(22-17)10-21-19(24)23-11-15-6-3-7-16(15)12-23/h2,4-5,8-9,15-16H,3,6-7,10-12H2,1H3,(H,20,22)(H,21,24)/t15-,16+
InChIKeyOOIZOVQMAQBXPS-IYBDPMFKSA-N
MW324.43 g/mol
LogP3.33
Rot. Bonds3

About (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

(3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 166308946) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID166308946
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCc1cccc(-c2cnc(CNC(=O)N3C[C@H]4CCC[C@H]4C3)[nH]2)c1
InChIInChI=1S/C19H24N4O/c1-13-4-2-5-14(8-13)17-9-20-18(22-17)10-21-19(24)23-11-15-6-3-7-16(15)12-23/h2,4-5,8-9,15-16H,3,6-7,10-12H2,1H3,(H,20,22)(H,21,24)/t15-,16+
InChIKeyOOIZOVQMAQBXPS-IYBDPMFKSA-N
XLogP3.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide
CID 139606187
2-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 126817370
(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 94391575
3-amino-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 119890340
2-methoxy-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 146152365
2-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]pyridine-4-carboxylic acid
CID 115560835
(2R,3R)-1,2-dimethyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 139017853
2-chloro-5-(3-methylphenyl)-1H-imidazole
CID 105446615
(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid
CID 143516631
[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
CID 143516405
N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145071
N-[[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877341

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 166308946) is (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is Cc1cccc(-c2cnc(CNC(=O)N3C[C@H]4CCC[C@H]4C3)[nH]2)c1.
What is the InChIKey of (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is OOIZOVQMAQBXPS-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-4-2-5-14(8-13)17-9-20-18(22-17)10-21-19(24)23-11-15-6-3-7-16(15)12-23/h2,4-5,8-9,15-16H,3,6-7,10-12H2,1H3,(H,20,22)(H,21,24)/t15-,16+.
What are the key properties of (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-[[5-(3-methylphenyl)-1H-imidazol-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 166308946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).