N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C24H27Cl2N5O2 — CID 56968925

IUPACN-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NCC3CCCCC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
InChIInChI=1S/C24H27Cl2N5O2/c1-24(2)9-15-19-18(29-23(30-19)31-20-16(25)11-27-12-17(20)26)8-14(21(15)33-24)22(32)28-10-13-6-4-3-5-7-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,28,32)(H2,27,29,30,31)
InChIKeyHVUHLWFOUBBENH-UHFFFAOYSA-N
MW488.42 g/mol
LogP6.03
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56968925) has the molecular formula C24H27Cl2N5O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56968925
Molecular FormulaC24H27Cl2N5O2
Molecular Weight488.42 g/mol
Exact Mass487.15
IUPAC NameN-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)NCC3CCCCC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1
InChIInChI=1S/C24H27Cl2N5O2/c1-24(2)9-15-19-18(29-23(30-19)31-20-16(25)11-27-12-17(20)26)8-14(21(15)33-24)22(32)28-10-13-6-4-3-5-7-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,28,32)(H2,27,29,30,31)
InChIKeyHVUHLWFOUBBENH-UHFFFAOYSA-N
XLogP6.03
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56968925) is N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)NCC3CCCCC3)cc3[nH]c(Nc4c(Cl)cncc4Cl)nc23)O1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is HVUHLWFOUBBENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O2/c1-24(2)9-15-19-18(29-23(30-19)31-20-16(25)11-27-12-17(20)26)8-14(21(15)33-24)22(32)28-10-13-6-4-3-5-7-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,28,32)(H2,27,29,30,31).
What are the key properties of N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 488.42 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56968925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).