7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine

C15H20ClN3 — CID 63547309

IUPAC7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
SMILESCC1CCC(Cn2c(N)nc3cccc(Cl)c32)CC1
InChIInChI=1S/C15H20ClN3/c1-10-5-7-11(8-6-10)9-19-14-12(16)3-2-4-13(14)18-15(19)17/h2-4,10-11H,5-9H2,1H3,(H2,17,18)
InChIKeyBCWFZOOXQYYWIH-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.10
Rot. Bonds2

About 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine

7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine (PubChem CID 63547309) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
PubChem CID63547309
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
SMILESCC1CCC(Cn2c(N)nc3cccc(Cl)c32)CC1
InChIInChI=1S/C15H20ClN3/c1-10-5-7-11(8-6-10)9-19-14-12(16)3-2-4-13(14)18-15(19)17/h2-4,10-11H,5-9H2,1H3,(H2,17,18)
InChIKeyBCWFZOOXQYYWIH-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine (CID 63547309) is 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine is CC1CCC(Cn2c(N)nc3cccc(Cl)c32)CC1.
What is the InChIKey of 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine?
The InChIKey is BCWFZOOXQYYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10-5-7-11(8-6-10)9-19-14-12(16)3-2-4-13(14)18-15(19)17/h2-4,10-11H,5-9H2,1H3,(H2,17,18).
What are the key properties of 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine?
7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 63547309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).