2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine

C34H36N6 — CID 175787305

IUPAC2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
SMILESCN(Cc1nc2ccccc2[nH]1)C(Cc1ccccc1)C(Cc1ccccc1)N(C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C34H36N6/c1-39(23-33-35-27-17-9-10-18-28(27)36-33)31(21-25-13-5-3-6-14-25)32(22-26-15-7-4-8-16-26)40(2)24-34-37-29-19-11-12-20-30(29)38-34/h3-20,31-32H,21-24H2,1-2H3,(H,35,36)(H,37,38)
InChIKeyVBNJYEVVLRWOLV-UHFFFAOYSA-N
MW528.70 g/mol
LogP6.23
Rot. Bonds11

About 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine

2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine (PubChem CID 175787305) has the molecular formula C34H36N6 and a molecular weight of 528.70 g/mol. Its IUPAC name is 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
PubChem CID175787305
Molecular FormulaC34H36N6
Molecular Weight528.70 g/mol
Exact Mass528.30
IUPAC Name2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
SMILESCN(Cc1nc2ccccc2[nH]1)C(Cc1ccccc1)C(Cc1ccccc1)N(C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C34H36N6/c1-39(23-33-35-27-17-9-10-18-28(27)36-33)31(21-25-13-5-3-6-14-25)32(22-26-15-7-4-8-16-26)40(2)24-34-37-29-19-11-12-20-30(29)38-34/h3-20,31-32H,21-24H2,1-2H3,(H,35,36)(H,37,38)
InChIKeyVBNJYEVVLRWOLV-UHFFFAOYSA-N
XLogP6.23
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91865506
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CID 79121832
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2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
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'-methylpropane-1,3-diamine
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2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine (CID 175787305) is 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine is CN(Cc1nc2ccccc2[nH]1)C(Cc1ccccc1)C(Cc1ccccc1)N(C)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine?
The InChIKey is VBNJYEVVLRWOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6/c1-39(23-33-35-27-17-9-10-18-28(27)36-33)31(21-25-13-5-3-6-14-25)32(22-26-15-7-4-8-16-26)40(2)24-34-37-29-19-11-12-20-30(29)38-34/h3-20,31-32H,21-24H2,1-2H3,(H,35,36)(H,37,38).
What are the key properties of 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine?
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine has a molecular weight of 528.70 g/mol, XLogP of 6.23, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine is sourced from PubChem (CID 175787305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).