[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine

C15H19Cl2N3 — CID 82000970

IUPAC[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)CCCCC1
InChIInChI=1S/C15H19Cl2N3/c16-10-6-12-13(7-11(10)17)20-14(19-12)8-15(9-18)4-2-1-3-5-15/h6-7H,1-5,8-9,18H2,(H,19,20)
InChIKeyWDDMDLZVLFNWIZ-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.32
Rot. Bonds3

About [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine

[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine (PubChem CID 82000970) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine
PubChem CID82000970
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine
SMILESNCC1(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)CCCCC1
InChIInChI=1S/C15H19Cl2N3/c16-10-6-12-13(7-11(10)17)20-14(19-12)8-15(9-18)4-2-1-3-5-15/h6-7H,1-5,8-9,18H2,(H,19,20)
InChIKeyWDDMDLZVLFNWIZ-UHFFFAOYSA-N
XLogP4.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine (CID 82000970) is [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine is NCC1(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)CCCCC1.
What is the InChIKey of [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine?
The InChIKey is WDDMDLZVLFNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c16-10-6-12-13(7-11(10)17)20-14(19-12)8-15(9-18)4-2-1-3-5-15/h6-7H,1-5,8-9,18H2,(H,19,20).
What are the key properties of [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine?
[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine has a molecular weight of 312.24 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 82000970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).