N,N'-dicyclohexylbenzimidazole-1-carboximidamide

C20H28N4 — CID 139093660

IUPACN,N'-dicyclohexylbenzimidazole-1-carboximidamide
SMILESc1ccc2c(c1)ncn2/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H28N4/c1-3-9-16(10-4-1)22-20(23-17-11-5-2-6-12-17)24-15-21-18-13-7-8-14-19(18)24/h7-8,13-17H,1-6,9-12H2,(H,22,23)
InChIKeyIPHDAIKYNIJCHL-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.50
Rot. Bonds2

About N,N'-dicyclohexylbenzimidazole-1-carboximidamide

N,N'-dicyclohexylbenzimidazole-1-carboximidamide (PubChem CID 139093660) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N,N'-dicyclohexylbenzimidazole-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexylbenzimidazole-1-carboximidamide
PubChem CID139093660
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN,N'-dicyclohexylbenzimidazole-1-carboximidamide
SMILESc1ccc2c(c1)ncn2/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H28N4/c1-3-9-16(10-4-1)22-20(23-17-11-5-2-6-12-17)24-15-21-18-13-7-8-14-19(18)24/h7-8,13-17H,1-6,9-12H2,(H,22,23)
InChIKeyIPHDAIKYNIJCHL-UHFFFAOYSA-N
XLogP4.50
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N'-dicyclohexylbenzimidazole-1-carboximidamide 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,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide
CID 139093644
N,N'-dicyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 11702851
N,N'-dicyclohexylaziridine-1-carboximidamide
CID 566641
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
CID 110957833
benzimidazol-1-yl(oxolan-2-yl)methanone
CID 4560119
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
CID 102321701
1-(N,N'-dicyclohexylcarbamimidoyl)-N-[2-[[1-(N,N'-dicyclohexylcarbamimidoyl)pyrrolidine-2-carbonyl]amino]-1,2-diphenylethyl]pyrrolidine-2-carboxamide
CID 122384773
N-cyclohexyl-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
CID 7504061
[2-(benzimidazol-1-yl)-1-cycloheptylethyl]hydrazine
CID 105330603
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylbenzimidazole-1-carboximidamide?
The IUPAC name of N,N'-dicyclohexylbenzimidazole-1-carboximidamide (CID 139093660) is N,N'-dicyclohexylbenzimidazole-1-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexylbenzimidazole-1-carboximidamide?
The canonical SMILES for N,N'-dicyclohexylbenzimidazole-1-carboximidamide is c1ccc2c(c1)ncn2/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of N,N'-dicyclohexylbenzimidazole-1-carboximidamide?
The InChIKey is IPHDAIKYNIJCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-3-9-16(10-4-1)22-20(23-17-11-5-2-6-12-17)24-15-21-18-13-7-8-14-19(18)24/h7-8,13-17H,1-6,9-12H2,(H,22,23).
What are the key properties of N,N'-dicyclohexylbenzimidazole-1-carboximidamide?
N,N'-dicyclohexylbenzimidazole-1-carboximidamide has a molecular weight of 324.47 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylbenzimidazole-1-carboximidamide is sourced from PubChem (CID 139093660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).