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

C22H28N4O — CID 662454

IUPACN-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESCOc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C22H28N4O/c1-27-21-12-6-3-9-18(21)17-23-22-24-19-10-4-5-11-20(19)26(22)16-15-25-13-7-2-8-14-25/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,23,24)
InChIKeySMMDROIKXKFOOU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.14
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (PubChem CID 662454) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
PubChem CID662454
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESCOc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C22H28N4O/c1-27-21-12-6-3-9-18(21)17-23-22-24-19-10-4-5-11-20(19)26(22)16-15-25-13-7-2-8-14-25/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,23,24)
InChIKeySMMDROIKXKFOOU-UHFFFAOYSA-N
XLogP4.14
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (CID 662454) is N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is COc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The InChIKey is SMMDROIKXKFOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-27-21-12-6-3-9-18(21)17-23-22-24-19-10-4-5-11-20(19)26(22)16-15-25-13-7-2-8-14-25/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,23,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine has a molecular weight of 364.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 662454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).