2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide

C15H19ClN4 — CID 169367311

IUPAC2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2nc(C3CCCCC3)[nH]c2c1
InChIInChI=1S/C15H19ClN4/c16-9-14(17)18-11-6-7-12-13(8-11)20-15(19-12)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,17,18)(H,19,20)
InChIKeyBANPCQCSNAEJQB-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.84
Rot. Bonds3

About 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide

2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide (PubChem CID 169367311) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide
PubChem CID169367311
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2nc(C3CCCCC3)[nH]c2c1
InChIInChI=1S/C15H19ClN4/c16-9-14(17)18-11-6-7-12-13(8-11)20-15(19-12)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,17,18)(H,19,20)
InChIKeyBANPCQCSNAEJQB-UHFFFAOYSA-N
XLogP3.84
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
CID 82502367
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82497477
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide
CID 169368338
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
CID 81432165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide (CID 169367311) is 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide is N/C(CCl)=N/c1ccc2nc(C3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide?
The InChIKey is BANPCQCSNAEJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c16-9-14(17)18-11-6-7-12-13(8-11)20-15(19-12)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,17,18)(H,19,20).
What are the key properties of 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide?
2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide has a molecular weight of 290.80 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide is sourced from PubChem (CID 169367311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).