5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine

C14H17Cl2N3 — CID 164602928

IUPAC5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
SMILESClc1cc2nc(NCC3CCCCC3)[nH]c2cc1Cl
InChIInChI=1S/C14H17Cl2N3/c15-10-6-12-13(7-11(10)16)19-14(18-12)17-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,17,18,19)
InChIKeyCWIYYAGQXWFSGD-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.86
Rot. Bonds3

About 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine

5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine (PubChem CID 164602928) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
PubChem CID164602928
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
SMILESClc1cc2nc(NCC3CCCCC3)[nH]c2cc1Cl
InChIInChI=1S/C14H17Cl2N3/c15-10-6-12-13(7-11(10)16)19-14(18-12)17-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,17,18,19)
InChIKeyCWIYYAGQXWFSGD-UHFFFAOYSA-N
XLogP4.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine (CID 164602928) is 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine is Clc1cc2nc(NCC3CCCCC3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is CWIYYAGQXWFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c15-10-6-12-13(7-11(10)16)19-14(18-12)17-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,17,18,19).
What are the key properties of 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine?
5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 298.22 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 164602928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).