1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine

C29H25N5 — CID 2859099

IUPAC1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESc1ccc(Cn2c(CNc3nc4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C29H25N5/c1-3-11-22(12-4-1)20-33-26-17-9-7-15-24(26)31-28(33)19-30-29-32-25-16-8-10-18-27(25)34(29)21-23-13-5-2-6-14-23/h1-18H,19-21H2,(H,30,32)
InChIKeyJASWAWGPBOPASZ-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.09
Rot. Bonds7

About 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine

1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 2859099) has the molecular formula C29H25N5 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID2859099
Molecular FormulaC29H25N5
Molecular Weight443.55 g/mol
Exact Mass443.21
IUPAC Name1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESc1ccc(Cn2c(CNc3nc4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C29H25N5/c1-3-11-22(12-4-1)20-33-26-17-9-7-15-24(26)31-28(33)19-30-29-32-25-16-8-10-18-27(25)34(29)21-23-13-5-2-6-14-23/h1-18H,19-21H2,(H,30,32)
InChIKeyJASWAWGPBOPASZ-UHFFFAOYSA-N
XLogP6.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine
CID 155511290
1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
CID 4673854
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
CID 134084343
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
CID 134084344
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methoxypropan-1-amine
CID 134084347
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine (CID 2859099) is 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine is c1ccc(Cn2c(CNc3nc4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is JASWAWGPBOPASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5/c1-3-11-22(12-4-1)20-33-26-17-9-7-15-24(26)31-28(33)19-30-29-32-25-16-8-10-18-27(25)34(29)21-23-13-5-2-6-14-23/h1-18H,19-21H2,(H,30,32).
What are the key properties of 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine?
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 443.55 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 2859099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).