N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline

C26H27N5 — CID 102336325

IUPACN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
SMILESCCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H27N5/c1-3-30-23-16-10-8-14-21(23)27-25(30)18-29(20-12-6-5-7-13-20)19-26-28-22-15-9-11-17-24(22)31(26)4-2/h5-17H,3-4,18-19H2,1-2H3
InChIKeyPVQCEZVHYAGVBW-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.63
Rot. Bonds7

About N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline

N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline (PubChem CID 102336325) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
PubChem CID102336325
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC NameN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
SMILESCCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H27N5/c1-3-30-23-16-10-8-14-21(23)27-25(30)18-29(20-12-6-5-7-13-20)19-26-28-22-15-9-11-17-24(22)31(26)4-2/h5-17H,3-4,18-19H2,1-2H3
InChIKeyPVQCEZVHYAGVBW-UHFFFAOYSA-N
XLogP5.63
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel
CID 139241229
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide
CID 139241227
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404
1-ethyl-2-pentylbenzimidazole
CID 3463966
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
CID 59065201
CID 59065201
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 84585943
(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
CID 133123786
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline (CID 102336325) is N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline is CCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21.
What is the InChIKey of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is PVQCEZVHYAGVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-3-30-23-16-10-8-14-21(23)27-25(30)18-29(20-12-6-5-7-13-20)19-26-28-22-15-9-11-17-24(22)31(26)4-2/h5-17H,3-4,18-19H2,1-2H3.
What are the key properties of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline?
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 409.54 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 102336325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).