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

C29H34Cl2CuN6O — CID 139241227

IUPACN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide
SMILESCCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21.CN(C)C=O.Cl[Cu]Cl
InChIInChI=1S/C26H27N5.C3H7NO.2ClH.Cu/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;1-4(2)3-5;;;/h5-17H,3-4,18-19H2,1-2H3;3H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyQIPLBWLDKFBXJB-UHFFFAOYSA-L
MW617.08 g/mol
LogP6.71
Rot. Bonds8

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

N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide (PubChem CID 139241227) has the molecular formula C29H34Cl2CuN6O and a molecular weight of 617.08 g/mol. Its IUPAC name is N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide.

Molecular Properties

Compound NameN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide
PubChem CID139241227
Molecular FormulaC29H34Cl2CuN6O
Molecular Weight617.08 g/mol
Exact Mass615.15
IUPAC NameN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide
SMILESCCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21.CN(C)C=O.Cl[Cu]Cl
InChIInChI=1S/C26H27N5.C3H7NO.2ClH.Cu/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;1-4(2)3-5;;;/h5-17H,3-4,18-19H2,1-2H3;3H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyQIPLBWLDKFBXJB-UHFFFAOYSA-L
XLogP6.71
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.08
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 102336325
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel
CID 139241229
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 84585943
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
CID 51097095
(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
CID 133123786
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-ethyl-2-pentylbenzimidazole
CID 3463966
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
CID 59065201
CID 59065201

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide?
The IUPAC name of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide (CID 139241227) is N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide.
What is the SMILES notation for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide?
The canonical SMILES for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide is CCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21.CN(C)C=O.Cl[Cu]Cl.
What is the InChIKey of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide?
The InChIKey is QIPLBWLDKFBXJB-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H27N5.C3H7NO.2ClH.Cu/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;1-4(2)3-5;;;/h5-17H,3-4,18-19H2,1-2H3;3H,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide?
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide has a molecular weight of 617.08 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichlorocopper;N,N-dimethylformamide is sourced from PubChem (CID 139241227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).