6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide

C12H17Br2ClN4O — CID 67238651

IUPAC6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide
SMILESBr.Br.Nc1nc2c(CN3CCOCC3)cc(Cl)cc2[nH]1
InChIInChI=1S/C12H15ClN4O.2BrH/c13-9-5-8(7-17-1-3-18-4-2-17)11-10(6-9)15-12(14)16-11;;/h5-6H,1-4,7H2,(H3,14,15,16);2*1H
InChIKeyCPBMBAHQVLILBG-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.79
Rot. Bonds2

About 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide

6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide (PubChem CID 67238651) has the molecular formula C12H17Br2ClN4O and a molecular weight of 428.56 g/mol. Its IUPAC name is 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide.

Molecular Properties

Compound Name6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide
PubChem CID67238651
Molecular FormulaC12H17Br2ClN4O
Molecular Weight428.56 g/mol
Exact Mass425.95
IUPAC Name6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide
SMILESBr.Br.Nc1nc2c(CN3CCOCC3)cc(Cl)cc2[nH]1
InChIInChI=1S/C12H15ClN4O.2BrH/c13-9-5-8(7-17-1-3-18-4-2-17)11-10(6-9)15-12(14)16-11;;/h5-6H,1-4,7H2,(H3,14,15,16);2*1H
InChIKeyCPBMBAHQVLILBG-UHFFFAOYSA-N
XLogP2.79
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide?
The IUPAC name of 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide (CID 67238651) is 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide.
What is the SMILES notation for 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide?
The canonical SMILES for 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide is Br.Br.Nc1nc2c(CN3CCOCC3)cc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide?
The InChIKey is CPBMBAHQVLILBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O.2BrH/c13-9-5-8(7-17-1-3-18-4-2-17)11-10(6-9)15-12(14)16-11;;/h5-6H,1-4,7H2,(H3,14,15,16);2*1H.
What are the key properties of 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide?
6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide has a molecular weight of 428.56 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide is sourced from PubChem (CID 67238651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).