N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine

C22H18N6 — CID 2858565

IUPACN-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine
SMILESC(=NNc1nc2ccccc2[nH]1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H18N6/c1-2-8-16(9-3-1)15-28-20-13-7-6-12-19(20)24-21(28)14-23-27-22-25-17-10-4-5-11-18(17)26-22/h1-14H,15H2,(H2,25,26,27)
InChIKeyKOGYFMLEUUPBTB-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.41
Rot. Bonds5

About N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine

N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 2858565) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine
PubChem CID2858565
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine
SMILESC(=NNc1nc2ccccc2[nH]1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H18N6/c1-2-8-16(9-3-1)15-28-20-13-7-6-12-19(20)24-21(28)14-23-27-22-25-17-10-4-5-11-18(17)26-22/h1-14H,15H2,(H2,25,26,27)
InChIKeyKOGYFMLEUUPBTB-UHFFFAOYSA-N
XLogP4.41
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]thiourea
CID 5404540
1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
CID 23266662
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 4573901
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine
CID 3649106
N-[(E)-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 71537501
N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
CID 921503
N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 4151139
2-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile
CID 126042512

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine (CID 2858565) is N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine is C(=NNc1nc2ccccc2[nH]1)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is KOGYFMLEUUPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-2-8-16(9-3-1)15-28-20-13-7-6-12-19(20)24-21(28)14-23-27-22-25-17-10-4-5-11-18(17)26-22/h1-14H,15H2,(H2,25,26,27).
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine?
N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 366.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 2858565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).