N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide

C21H26N4O — CID 119110376

IUPACN-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide
SMILESCCCCNC(=O)c1ccc(CNCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C21H26N4O/c1-3-4-13-23-21(26)17-11-9-16(10-12-17)14-22-15-20-24-18-7-5-6-8-19(18)25(20)2/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyJIKQHVIOTDREIW-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.39
Rot. Bonds8

About N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide

N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide (PubChem CID 119110376) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide
PubChem CID119110376
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide
SMILESCCCCNC(=O)c1ccc(CNCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C21H26N4O/c1-3-4-13-23-21(26)17-11-9-16(10-12-17)14-22-15-20-24-18-7-5-6-8-19(18)25(20)2/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyJIKQHVIOTDREIW-UHFFFAOYSA-N
XLogP3.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone
CID 119110424
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide?
The IUPAC name of N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide (CID 119110376) is N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide is CCCCNC(=O)c1ccc(CNCc2nc3ccccc3n2C)cc1.
What is the InChIKey of N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide?
The InChIKey is JIKQHVIOTDREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-4-13-23-21(26)17-11-9-16(10-12-17)14-22-15-20-24-18-7-5-6-8-19(18)25(20)2/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide?
N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide has a molecular weight of 350.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 119110376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).