N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline

C19H22N4 — CID 3337514

IUPACN,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline
SMILESCCN(CC)c1ccc(C=Nc2nc3ccccc3n2C)cc1
InChIInChI=1S/C19H22N4/c1-4-23(5-2)16-12-10-15(11-13-16)14-20-19-21-17-8-6-7-9-18(17)22(19)3/h6-14H,4-5H2,1-3H3
InChIKeyHPIVMJXLONEMOJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.17
Rot. Bonds5

About N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline

N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline (PubChem CID 3337514) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline
PubChem CID3337514
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline
SMILESCCN(CC)c1ccc(C=Nc2nc3ccccc3n2C)cc1
InChIInChI=1S/C19H22N4/c1-4-23(5-2)16-12-10-15(11-13-16)14-20-19-21-17-8-6-7-9-18(17)22(19)3/h6-14H,4-5H2,1-3H3
InChIKeyHPIVMJXLONEMOJ-UHFFFAOYSA-N
XLogP4.17
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 680090
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine
CID 40884173
1-(4-methoxyphenyl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine
CID 5170986
4-[[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]iminomethyl]-N,N-diethylaniline
CID 132940991
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline
CID 23848316
N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine
CID 73186987
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide
CID 110526717
1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine
CID 58672187
2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
CID 135822358
N-(1-benzylbenzimidazol-2-yl)-1-(4-decoxyphenyl)methanimine
CID 3711243

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline?
The IUPAC name of N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline (CID 3337514) is N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline is CCN(CC)c1ccc(C=Nc2nc3ccccc3n2C)cc1.
What is the InChIKey of N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline?
The InChIKey is HPIVMJXLONEMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-4-23(5-2)16-12-10-15(11-13-16)14-20-19-21-17-8-6-7-9-18(17)22(19)3/h6-14H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline?
N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline has a molecular weight of 306.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline is sourced from PubChem (CID 3337514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).