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

C24H22N4 — CID 59163630

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine
SMILESc1ccc(CN(CC2=Nc3ccccc3C2)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H22N4/c1-2-8-18(9-3-1)15-28(16-20-14-19-10-4-5-11-21(19)25-20)17-24-26-22-12-6-7-13-23(22)27-24/h1-13H,14-17H2,(H,26,27)
InChIKeyPEQZDFULMFDKIE-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.89
Rot. Bonds6

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

N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine (PubChem CID 59163630) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine
PubChem CID59163630
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine
SMILESc1ccc(CN(CC2=Nc3ccccc3C2)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H22N4/c1-2-8-18(9-3-1)15-28(16-20-14-19-10-4-5-11-21(19)25-20)17-24-26-22-12-6-7-13-23(22)27-24/h1-13H,14-17H2,(H,26,27)
InChIKeyPEQZDFULMFDKIE-UHFFFAOYSA-N
XLogP4.89
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine
CID 161048424
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-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine
CID 142942374
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
CID 46985414
2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
CID 147235062
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 20747305
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine (CID 59163630) is N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine is c1ccc(CN(CC2=Nc3ccccc3C2)Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine?
The InChIKey is PEQZDFULMFDKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-2-8-18(9-3-1)15-28(16-20-14-19-10-4-5-11-21(19)25-20)17-24-26-22-12-6-7-13-23(22)27-24/h1-13H,14-17H2,(H,26,27).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine has a molecular weight of 366.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine is sourced from PubChem (CID 59163630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).