1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide

C20H24Br2N4O — CID 6603641

IUPAC1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1Cc1ccccc1Br
InChIInChI=1S/C20H23BrN4O.BrH/c21-17-6-2-1-5-16(17)15-25-19-8-4-3-7-18(19)24(20(25)22)10-9-23-11-13-26-14-12-23;/h1-8,22H,9-15H2;1H/b22-20+;
InChIKeyTZFBTBQIHKBCAY-QPNALZDCSA-N
MW496.25 g/mol
LogP3.64
Rot. Bonds5

About 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide

1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide (PubChem CID 6603641) has the molecular formula C20H24Br2N4O and a molecular weight of 496.25 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide
PubChem CID6603641
Molecular FormulaC20H24Br2N4O
Molecular Weight496.25 g/mol
Exact Mass494.03
IUPAC Name1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1Cc1ccccc1Br
InChIInChI=1S/C20H23BrN4O.BrH/c21-17-6-2-1-5-16(17)15-25-19-8-4-3-7-18(19)24(20(25)22)10-9-23-11-13-26-14-12-23;/h1-8,22H,9-15H2;1H/b22-20+;
InChIKeyTZFBTBQIHKBCAY-QPNALZDCSA-N
XLogP3.64
TPSA46.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide (CID 6603641) is 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide?
The InChIKey is TZFBTBQIHKBCAY-QPNALZDCSA-N. The full InChI is InChI=1S/C20H23BrN4O.BrH/c21-17-6-2-1-5-16(17)15-25-19-8-4-3-7-18(19)24(20(25)22)10-9-23-11-13-26-14-12-23;/h1-8,22H,9-15H2;1H/b22-20+;.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide?
1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide has a molecular weight of 496.25 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 6603641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).