N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

C21H26N4O2 — CID 1090114

IUPACN-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1
InChIInChI=1S/C21H26N4O2/c1-26-18-8-6-17(7-9-18)16-22-21-23-19-4-2-3-5-20(19)25(21)11-10-24-12-14-27-15-13-24/h2-9H,10-16H2,1H3,(H,22,23)
InChIKeyRWYZABDBTMSTGA-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.99
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine (PubChem CID 1090114) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
PubChem CID1090114
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1
InChIInChI=1S/C21H26N4O2/c1-26-18-8-6-17(7-9-18)16-22-21-23-19-4-2-3-5-20(19)25(21)11-10-24-12-14-27-15-13-24/h2-9H,10-16H2,1H3,(H,22,23)
InChIKeyRWYZABDBTMSTGA-UHFFFAOYSA-N
XLogP2.99
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine (CID 1090114) is N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine is COc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The InChIKey is RWYZABDBTMSTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-26-18-8-6-17(7-9-18)16-22-21-23-19-4-2-3-5-20(19)25(21)11-10-24-12-14-27-15-13-24/h2-9H,10-16H2,1H3,(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine has a molecular weight of 366.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 1090114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).