1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine

C14H17Cl2N3 — CID 82001899

IUPAC1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C14H17Cl2N3/c1-8-2-4-14(17,5-3-8)13-18-11-6-9(15)10(16)7-12(11)19-13/h6-8H,2-5,17H2,1H3,(H,18,19)
InChIKeyLMDRRSRDZYESCY-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.23
Rot. Bonds1

About 1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine

1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 82001899) 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)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID82001899
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C14H17Cl2N3/c1-8-2-4-14(17,5-3-8)13-18-11-6-9(15)10(16)7-12(11)19-13/h6-8H,2-5,17H2,1H3,(H,18,19)
InChIKeyLMDRRSRDZYESCY-UHFFFAOYSA-N
XLogP4.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
CID 112556438
1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine
CID 61291416
1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine
CID 61292154
5,6-dichloro-2-(3-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole
CID 106983273
5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole
CID 82001516
1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 82003974
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine
CID 115292241
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine
CID 81161162
5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
CID 113310412
5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
CID 82005296

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine (CID 82001899) is 1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is LMDRRSRDZYESCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-8-2-4-14(17,5-3-8)13-18-11-6-9(15)10(16)7-12(11)19-13/h6-8H,2-5,17H2,1H3,(H,18,19).
What are the key properties of 1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine?
1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 4.23, 1 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)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 82001899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).