N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide

C26H28N4O2 — CID 170238113

IUPACN-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide
SMILESCCN(C(=O)c1nc2ccccc2[nH]1)[C@@]12CCC[C@]1(NCc1oc3ccccc3c1C)C2
InChIInChI=1S/C26H28N4O2/c1-3-30(24(31)23-28-19-10-5-6-11-20(19)29-23)26-14-8-13-25(26,16-26)27-15-22-17(2)18-9-4-7-12-21(18)32-22/h4-7,9-12,27H,3,8,13-16H2,1-2H3,(H,28,29)/t25-,26+/m0/s1
InChIKeyMQDJUHGEQGTBTN-IZZNHLLZSA-N
MW428.54 g/mol
LogP4.93
Rot. Bonds6

About N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide

N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide (PubChem CID 170238113) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide
PubChem CID170238113
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide
SMILESCCN(C(=O)c1nc2ccccc2[nH]1)[C@@]12CCC[C@]1(NCc1oc3ccccc3c1C)C2
InChIInChI=1S/C26H28N4O2/c1-3-30(24(31)23-28-19-10-5-6-11-20(19)29-23)26-14-8-13-25(26,16-26)27-15-22-17(2)18-9-4-7-12-21(18)32-22/h4-7,9-12,27H,3,8,13-16H2,1-2H3,(H,28,29)/t25-,26+/m0/s1
InChIKeyMQDJUHGEQGTBTN-IZZNHLLZSA-N
XLogP4.93
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide
CID 167279632
N-ethyl-6-fluoro-N-[(1S)-3-[(3-methyl-1-benzofuran-2-yl)methylamino]-3-sulfanylcyclohexyl]-1H-benzimidazole-2-carboxamide
CID 170110199
N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide
CID 170238085
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193
1-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119327004
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86960098
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide
CID 99927726
N-ethyl-N-[(1S)-3-[(4-fluorophenyl)methylamino]cyclohex-2-en-1-yl]-1H-benzimidazole-2-carboxamide
CID 155076743
N-[(3-methyl-1-benzofuran-2-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70768806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide (CID 170238113) is N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide is CCN(C(=O)c1nc2ccccc2[nH]1)[C@@]12CCC[C@]1(NCc1oc3ccccc3c1C)C2.
What is the InChIKey of N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is MQDJUHGEQGTBTN-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-3-30(24(31)23-28-19-10-5-6-11-20(19)29-23)26-14-8-13-25(26,16-26)27-15-22-17(2)18-9-4-7-12-21(18)32-22/h4-7,9-12,27H,3,8,13-16H2,1-2H3,(H,28,29)/t25-,26+/m0/s1.
What are the key properties of N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide?
N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1R,5S)-5-[(3-methyl-1-benzofuran-2-yl)methylamino]-1-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 170238113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).