N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine

C25H22N6 — CID 161048424

IUPACN,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine
SMILESc1ccc2c(c1)CC(CN(Cc1nc3ccccc3[nH]1)Cc1nc3ccccc3[nH]1)=N2
InChIInChI=1S/C25H22N6/c1-2-8-19-17(7-1)13-18(26-19)14-31(15-24-27-20-9-3-4-10-21(20)28-24)16-25-29-22-11-5-6-12-23(22)30-25/h1-12H,13-16H2,(H,27,28)(H,29,30)
InChIKeyUBUQWFHYEGINAV-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.77
Rot. Bonds6

About N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine

N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine (PubChem CID 161048424) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine.

Molecular Properties

Compound NameN,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine
PubChem CID161048424
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC NameN,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine
SMILESc1ccc2c(c1)CC(CN(Cc1nc3ccccc3[nH]1)Cc1nc3ccccc3[nH]1)=N2
InChIInChI=1S/C25H22N6/c1-2-8-19-17(7-1)13-18(26-19)14-31(15-24-27-20-9-3-4-10-21(20)28-24)16-25-29-22-11-5-6-12-23(22)30-25/h1-12H,13-16H2,(H,27,28)(H,29,30)
InChIKeyUBUQWFHYEGINAV-UHFFFAOYSA-N
XLogP4.77
TPSA72.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine
CID 59163630
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
CID 91865506
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
CID 147235062
copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride
CID 139158673
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine
CID 142942374
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine?
The IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine (CID 161048424) is N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine.
What is the SMILES notation for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine?
The canonical SMILES for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine is c1ccc2c(c1)CC(CN(Cc1nc3ccccc3[nH]1)Cc1nc3ccccc3[nH]1)=N2.
What is the InChIKey of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine?
The InChIKey is UBUQWFHYEGINAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-2-8-19-17(7-1)13-18(26-19)14-31(15-24-27-20-9-3-4-10-21(20)28-24)16-25-29-22-11-5-6-12-23(22)30-25/h1-12H,13-16H2,(H,27,28)(H,29,30).
What are the key properties of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine?
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine has a molecular weight of 406.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine is sourced from PubChem (CID 161048424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).