N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide

C26H35N3O — CID 18733407

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
SMILESCCCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(C)c2)nc2ccccc21
InChIInChI=1S/C26H35N3O/c1-6-7-15-29-24-11-9-8-10-23(24)27-25(29)18-28(16-14-19(2)3)26(30)22-13-12-20(4)21(5)17-22/h8-13,17,19H,6-7,14-16,18H2,1-5H3
InChIKeyZOVMBGURGPJPCM-UHFFFAOYSA-N
MW405.59 g/mol
LogP6.14
Rot. Bonds9

About N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide (PubChem CID 18733407) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
PubChem CID18733407
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
SMILESCCCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(C)c2)nc2ccccc21
InChIInChI=1S/C26H35N3O/c1-6-7-15-29-24-11-9-8-10-23(24)27-25(29)18-28(16-14-19(2)3)26(30)22-13-12-20(4)21(5)17-22/h8-13,17,19H,6-7,14-16,18H2,1-5H3
InChIKeyZOVMBGURGPJPCM-UHFFFAOYSA-N
XLogP6.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18732892
3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide
CID 18732933
N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
CID 143059829
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
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-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]-3-[(3,3,5-trimethylazepan-1-yl)methyl]benzamide
CID 18734661

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide (CID 18733407) is N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide is CCCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(C)c2)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide?
The InChIKey is ZOVMBGURGPJPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-6-7-15-29-24-11-9-8-10-23(24)27-25(29)18-28(16-14-19(2)3)26(30)22-13-12-20(4)21(5)17-22/h8-13,17,19H,6-7,14-16,18H2,1-5H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide has a molecular weight of 405.59 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18733407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).