N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)

C23H21Cl3CrN5+ — CID 91865506

IUPACN,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
SMILESCl[Cr+](Cl)Cl.c1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H21N5.3ClH.Cr/c1-2-8-17(9-3-1)14-28(15-22-24-18-10-4-5-11-19(18)25-22)16-23-26-20-12-6-7-13-21(20)27-23;;;;/h1-13H,14-16H2,(H,24,25)(H,26,27);3*1H;/q;;;;+4/p-3
InChIKeyVYFNMJXPDPCKLX-UHFFFAOYSA-K
MW525.81 g/mol
LogP6.71
Rot. Bonds6

About N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)

N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+) (PubChem CID 91865506) has the molecular formula C23H21Cl3CrN5+ and a molecular weight of 525.81 g/mol. Its IUPAC name is N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+).

Molecular Properties

Compound NameN,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
PubChem CID91865506
Molecular FormulaC23H21Cl3CrN5+
Molecular Weight525.81 g/mol
Exact Mass524.03
IUPAC NameN,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
SMILESCl[Cr+](Cl)Cl.c1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H21N5.3ClH.Cr/c1-2-8-17(9-3-1)14-28(15-22-24-18-10-4-5-11-19(18)25-22)16-23-26-20-12-6-7-13-21(20)27-23;;;;/h1-13H,14-16H2,(H,24,25)(H,26,27);3*1H;/q;;;;+4/p-3
InChIKeyVYFNMJXPDPCKLX-UHFFFAOYSA-K
XLogP6.71
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.81
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923
3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
CID 46985414
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-benzyl-1-(3H-indol-2-yl)methanamine
CID 59163630
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305
copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride
CID 139158673
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 46983929
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine
CID 161048424

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)?
The IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+) (CID 91865506) is N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+).
What is the SMILES notation for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)?
The canonical SMILES for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+) is Cl[Cr+](Cl)Cl.c1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)?
The InChIKey is VYFNMJXPDPCKLX-UHFFFAOYSA-K. The full InChI is InChI=1S/C23H21N5.3ClH.Cr/c1-2-8-17(9-3-1)14-28(15-22-24-18-10-4-5-11-19(18)25-22)16-23-26-20-12-6-7-13-21(20)27-23;;;;/h1-13H,14-16H2,(H,24,25)(H,26,27);3*1H;/q;;;;+4/p-3.
What are the key properties of N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)?
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+) has a molecular weight of 525.81 g/mol, XLogP of 6.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+) is sourced from PubChem (CID 91865506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).