6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine

C18H25BrN4O — CID 71116203

IUPAC6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CC1CCCCC1N1CCOCC1
InChIInChI=1S/C18H25BrN4O/c19-14-5-6-15-17(11-14)23(18(20)21-15)12-13-3-1-2-4-16(13)22-7-9-24-10-8-22/h5-6,11,13,16H,1-4,7-10,12H2,(H2,20,21)
InChIKeyQWRFQROTVZBWEG-UHFFFAOYSA-N
MW393.33 g/mol
LogP3.27
Rot. Bonds3

About 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine

6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine (PubChem CID 71116203) has the molecular formula C18H25BrN4O and a molecular weight of 393.33 g/mol. Its IUPAC name is 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine
PubChem CID71116203
Molecular FormulaC18H25BrN4O
Molecular Weight393.33 g/mol
Exact Mass392.12
IUPAC Name6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CC1CCCCC1N1CCOCC1
InChIInChI=1S/C18H25BrN4O/c19-14-5-6-15-17(11-14)23(18(20)21-15)12-13-3-1-2-4-16(13)22-7-9-24-10-8-22/h5-6,11,13,16H,1-4,7-10,12H2,(H2,20,21)
InChIKeyQWRFQROTVZBWEG-UHFFFAOYSA-N
XLogP3.27
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine (CID 71116203) is 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1CC1CCCCC1N1CCOCC1.
What is the InChIKey of 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine?
The InChIKey is QWRFQROTVZBWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O/c19-14-5-6-15-17(11-14)23(18(20)21-15)12-13-3-1-2-4-16(13)22-7-9-24-10-8-22/h5-6,11,13,16H,1-4,7-10,12H2,(H2,20,21).
What are the key properties of 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine?
6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine has a molecular weight of 393.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 71116203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).