2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide

C33H31N5O — CID 11978018

IUPAC2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C33H31N5O/c1-4-9-30-36-31-21(2)18-24(33-35-27-12-7-8-13-28(27)37(33)3)19-29(31)38(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)32(34)39/h5-8,10-19H,4,9,20H2,1-3H3,(H2,34,39)
InChIKeyYAIWQMXHIQDCFT-UHFFFAOYSA-N
MW513.65 g/mol
LogP6.67
Rot. Bonds7

About 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide

2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide (PubChem CID 11978018) has the molecular formula C33H31N5O and a molecular weight of 513.65 g/mol. Its IUPAC name is 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide
PubChem CID11978018
Molecular FormulaC33H31N5O
Molecular Weight513.65 g/mol
Exact Mass513.25
IUPAC Name2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C33H31N5O/c1-4-9-30-36-31-21(2)18-24(33-35-27-12-7-8-13-28(27)37(33)3)19-29(31)38(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)32(34)39/h5-8,10-19H,4,9,20H2,1-3H3,(H2,34,39)
InChIKeyYAIWQMXHIQDCFT-UHFFFAOYSA-N
XLogP6.67
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.65
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide?
The IUPAC name of 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide (CID 11978018) is 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide?
The InChIKey is YAIWQMXHIQDCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O/c1-4-9-30-36-31-21(2)18-24(33-35-27-12-7-8-13-28(27)37(33)3)19-29(31)38(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)32(34)39/h5-8,10-19H,4,9,20H2,1-3H3,(H2,34,39).
What are the key properties of 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide?
2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide has a molecular weight of 513.65 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 11978018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).