3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C22H26BrN3O — CID 18732892

IUPAC3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C22H26BrN3O/c1-4-12-26-20-11-6-5-10-19(20)24-21(26)15-25(14-16(2)3)22(27)17-8-7-9-18(23)13-17/h5-11,13,16H,4,12,14-15H2,1-3H3
InChIKeyJPVVHVKTAOZPPU-UHFFFAOYSA-N
MW428.37 g/mol
LogP5.51
Rot. Bonds7

About 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 18732892) has the molecular formula C22H26BrN3O and a molecular weight of 428.37 g/mol. Its IUPAC name is 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID18732892
Molecular FormulaC22H26BrN3O
Molecular Weight428.37 g/mol
Exact Mass427.13
IUPAC Name3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C22H26BrN3O/c1-4-12-26-20-11-6-5-10-19(20)24-21(26)15-25(14-16(2)3)22(27)17-8-7-9-18(23)13-17/h5-11,13,16H,4,12,14-15H2,1-3H3
InChIKeyJPVVHVKTAOZPPU-UHFFFAOYSA-N
XLogP5.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.37
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732852
3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732740
3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide
CID 18734225
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321
3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 18733277
3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732890
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-3-carboxamide
CID 18734022
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide
CID 18733972
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 18732892) is 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CCCn1c(CN(CC(C)C)C(=O)c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is JPVVHVKTAOZPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O/c1-4-12-26-20-11-6-5-10-19(20)24-21(26)15-25(14-16(2)3)22(27)17-8-7-9-18(23)13-17/h5-11,13,16H,4,12,14-15H2,1-3H3.
What are the key properties of 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 428.37 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 18732892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).