1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine

C14H17Cl2N3 — CID 82003974

IUPAC1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)CCCCC1
InChIInChI=1S/C14H17Cl2N3/c15-9-6-11-12(7-10(9)16)19-13(18-11)8-14(17)4-2-1-3-5-14/h6-7H,1-5,8,17H2,(H,18,19)
InChIKeyVMLZSBGEPCPYCU-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.07
Rot. Bonds2

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

1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 82003974) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID82003974
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)CCCCC1
InChIInChI=1S/C14H17Cl2N3/c15-9-6-11-12(7-10(9)16)19-13(18-11)8-14(17)4-2-1-3-5-14/h6-7H,1-5,8,17H2,(H,18,19)
InChIKeyVMLZSBGEPCPYCU-UHFFFAOYSA-N
XLogP4.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.07
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]cyclohexan-1-amine?
The IUPAC name of 1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine (CID 82003974) is 1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine is NC1(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)CCCCC1.
What is the InChIKey of 1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is VMLZSBGEPCPYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c15-9-6-11-12(7-10(9)16)19-13(18-11)8-14(17)4-2-1-3-5-14/h6-7H,1-5,8,17H2,(H,18,19).
What are the key properties of 1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine?
1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 4.07, 2 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]cyclohexan-1-amine is sourced from PubChem (CID 82003974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).