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'}

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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).