N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine

C25H35N5 — CID 1290899

IUPACN-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESCCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C25H35N5/c1-3-29(4-2)22-14-12-21(13-15-22)20-26-25-27-23-10-6-7-11-24(23)30(25)19-18-28-16-8-5-9-17-28/h6-7,10-15H,3-5,8-9,16-20H2,1-2H3,(H,26,27)
InChIKeyUBXVEORGGYZAAZ-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.98
Rot. Bonds9

About N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine

N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (PubChem CID 1290899) has the molecular formula C25H35N5 and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
PubChem CID1290899
Molecular FormulaC25H35N5
Molecular Weight405.59 g/mol
Exact Mass405.29
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESCCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C25H35N5/c1-3-29(4-2)22-14-12-21(13-15-22)20-26-25-27-23-10-6-7-11-24(23)30(25)19-18-28-16-8-5-9-17-28/h6-7,10-15H,3-5,8-9,16-20H2,1-2H3,(H,26,27)
InChIKeyUBXVEORGGYZAAZ-UHFFFAOYSA-N
XLogP4.98
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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CID 65906
Glasdegib
CID 25166913
Lerisetron
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5-Methylbenzimidazole
CID 11979
Tecastemizole
CID 123618
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
NS-2710
CID 9863520
Bms 345541
CID 9926054
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
Ezeprogind
CID 10252009

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (CID 1290899) is N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is CCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The InChIKey is UBXVEORGGYZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5/c1-3-29(4-2)22-14-12-21(13-15-22)20-26-25-27-23-10-6-7-11-24(23)30(25)19-18-28-16-8-5-9-17-28/h6-7,10-15H,3-5,8-9,16-20H2,1-2H3,(H,26,27).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine has a molecular weight of 405.59 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 1290899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).