N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide

C35H46N6O2 — CID 4155611

IUPACN-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCc1nc2ccc(Cc3ccc4nc(CCCNC(=O)C5CCCCC5)[nH]c4c3)cc2[nH]1)C1CCCCC1
InChIInChI=1S/C35H46N6O2/c42-34(26-9-3-1-4-10-26)36-19-7-13-32-38-28-17-15-24(22-30(28)40-32)21-25-16-18-29-31(23-25)41-33(39-29)14-8-20-37-35(43)27-11-5-2-6-12-27/h15-18,22-23,26-27H,1-14,19-21H2,(H,36,42)(H,37,43)(H,38,40)(H,39,41)
InChIKeyRBQMYRUMBJASEJ-UHFFFAOYSA-N
MW582.79 g/mol
LogP6.29
Rot. Bonds12

About N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide

N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide (PubChem CID 4155611) has the molecular formula C35H46N6O2 and a molecular weight of 582.79 g/mol. Its IUPAC name is N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide
PubChem CID4155611
Molecular FormulaC35H46N6O2
Molecular Weight582.79 g/mol
Exact Mass582.37
IUPAC NameN-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCc1nc2ccc(Cc3ccc4nc(CCCNC(=O)C5CCCCC5)[nH]c4c3)cc2[nH]1)C1CCCCC1
InChIInChI=1S/C35H46N6O2/c42-34(26-9-3-1-4-10-26)36-19-7-13-32-38-28-17-15-24(22-30(28)40-32)21-25-16-18-29-31(23-25)41-33(39-29)14-8-20-37-35(43)27-11-5-2-6-12-27/h15-18,22-23,26-27H,1-14,19-21H2,(H,36,42)(H,37,43)(H,38,40)(H,39,41)
InChIKeyRBQMYRUMBJASEJ-UHFFFAOYSA-N
XLogP6.29
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.79
LogP ≤ 56.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide 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

CID 9826322
CID 9826322
CID 71474517
CID 71474517
CID 4644404
CID 4644404
CID 687915
CID 687915
CID 162396665
CID 162396665
CID 247228
CID 247228
CID 9953722
CID 9953722
CID 18008864
CID 18008864
CID 23646599
CID 23646599
CID 25190732
CID 25190732
CID 10120002
CID 10120002
CID 10325245
CID 10325245

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide (CID 4155611) is N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide is O=C(NCCCc1nc2ccc(Cc3ccc4nc(CCCNC(=O)C5CCCCC5)[nH]c4c3)cc2[nH]1)C1CCCCC1.
What is the InChIKey of N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
The InChIKey is RBQMYRUMBJASEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N6O2/c42-34(26-9-3-1-4-10-26)36-19-7-13-32-38-28-17-15-24(22-30(28)40-32)21-25-16-18-29-31(23-25)41-33(39-29)14-8-20-37-35(43)27-11-5-2-6-12-27/h15-18,22-23,26-27H,1-14,19-21H2,(H,36,42)(H,37,43)(H,38,40)(H,39,41).
What are the key properties of N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide?
N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide has a molecular weight of 582.79 g/mol, XLogP of 6.29, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[[2-[3-(cyclohexanecarbonylamino)propyl]-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 4155611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).