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

C22H27N3O — CID 18734629

IUPACN-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-4-14-25-20-13-9-8-12-19(20)23-21(25)16-24(15-17(2)3)22(26)18-10-6-5-7-11-18/h5-13,17H,4,14-16H2,1-3H3
InChIKeyZTZDQMPCHSNPDP-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.74
Rot. Bonds7

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

N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 18734629) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID18734629
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-4-14-25-20-13-9-8-12-19(20)23-21(25)16-24(15-17(2)3)22(26)18-10-6-5-7-11-18/h5-13,17H,4,14-16H2,1-3H3
InChIKeyZTZDQMPCHSNPDP-UHFFFAOYSA-N
XLogP4.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18732892
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
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-3-carboxamide
CID 18734022
2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732433
3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732740
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
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
3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159808543
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 18733309

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 18734629) is N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is ZTZDQMPCHSNPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-14-25-20-13-9-8-12-19(20)23-21(25)16-24(15-17(2)3)22(26)18-10-6-5-7-11-18/h5-13,17H,4,14-16H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 349.48 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 18734629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).