acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese

C37H38Mn2N10O3 — CID 91867985

IUPACacetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese
SMILESCC(=O)O.OC(CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1)CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.[Mn].[Mn]
InChIInChI=1S/C35H34N10O.C2H4O2.2Mn/c46-23(17-44(19-32-36-24-9-1-2-10-25(24)37-32)20-33-38-26-11-3-4-12-27(26)39-33)18-45(21-34-40-28-13-5-6-14-29(28)41-34)22-35-42-30-15-7-8-16-31(30)43-35;1-2(3)4;;/h1-16,23,46H,17-22H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43);1H3,(H,3,4);;
InChIKeyYEBVTTOSEJMWAD-UHFFFAOYSA-N
MW780.65 g/mol
LogP5.34
Rot. Bonds12

About acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese

acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese (PubChem CID 91867985) has the molecular formula C37H38Mn2N10O3 and a molecular weight of 780.65 g/mol. Its IUPAC name is acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese.

Molecular Properties

Compound Nameacetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese
PubChem CID91867985
Molecular FormulaC37H38Mn2N10O3
Molecular Weight780.65 g/mol
Exact Mass780.19
IUPAC Nameacetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese
SMILESCC(=O)O.OC(CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1)CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.[Mn].[Mn]
InChIInChI=1S/C35H34N10O.C2H4O2.2Mn/c46-23(17-44(19-32-36-24-9-1-2-10-25(24)37-32)20-33-38-26-11-3-4-12-27(26)39-33)18-45(21-34-40-28-13-5-6-14-29(28)41-34)22-35-42-30-15-7-8-16-31(30)43-35;1-2(3)4;;/h1-16,23,46H,17-22H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43);1H3,(H,3,4);;
InChIKeyYEBVTTOSEJMWAD-UHFFFAOYSA-N
XLogP5.34
TPSA178.73 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500780.65
LogP ≤ 55.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

CID 11968265
CID 11968265
3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
CID 46985414
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
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
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
1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 46962152
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese?
The IUPAC name of acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese (CID 91867985) is acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese.
What is the SMILES notation for acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese?
The canonical SMILES for acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese is CC(=O)O.OC(CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1)CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.[Mn].[Mn].
What is the InChIKey of acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese?
The InChIKey is YEBVTTOSEJMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N10O.C2H4O2.2Mn/c46-23(17-44(19-32-36-24-9-1-2-10-25(24)37-32)20-33-38-26-11-3-4-12-27(26)39-33)18-45(21-34-40-28-13-5-6-14-29(28)41-34)22-35-42-30-15-7-8-16-31(30)43-35;1-2(3)4;;/h1-16,23,46H,17-22H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43);1H3,(H,3,4);;.
What are the key properties of acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese?
acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese has a molecular weight of 780.65 g/mol, XLogP of 5.34, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese is sourced from PubChem (CID 91867985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).