4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide

C24H25N5O — CID 131938275

IUPAC4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(NCc2nc3ccccc3n2C)cc1)c1cccnc1
InChIInChI=1S/C24H25N5O/c1-3-20(18-7-6-14-25-15-18)28-24(30)17-10-12-19(13-11-17)26-16-23-27-21-8-4-5-9-22(21)29(23)2/h4-15,20,26H,3,16H2,1-2H3,(H,28,30)
InChIKeyZNZMGSJLTFVDSZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.46
Rot. Bonds7

About 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide

4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide (PubChem CID 131938275) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide
PubChem CID131938275
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(NCc2nc3ccccc3n2C)cc1)c1cccnc1
InChIInChI=1S/C24H25N5O/c1-3-20(18-7-6-14-25-15-18)28-24(30)17-10-12-19(13-11-17)26-16-23-27-21-8-4-5-9-22(21)29(23)2/h4-15,20,26H,3,16H2,1-2H3,(H,28,30)
InChIKeyZNZMGSJLTFVDSZ-UHFFFAOYSA-N
XLogP4.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 134056803
2-methyl-3-[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166237744
diethyl 2-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]propanedioate
CID 146681628
1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea
CID 125438567
3,4-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
CID 42933551
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
3,5-dimethyl-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]benzamide
CID 42933546
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
CID 110204364
N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
CID 125161102

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide (CID 131938275) is 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide is CCC(NC(=O)c1ccc(NCc2nc3ccccc3n2C)cc1)c1cccnc1.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide?
The InChIKey is ZNZMGSJLTFVDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-3-20(18-7-6-14-25-15-18)28-24(30)17-10-12-19(13-11-17)26-16-23-27-21-8-4-5-9-22(21)29(23)2/h4-15,20,26H,3,16H2,1-2H3,(H,28,30).
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide?
4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide has a molecular weight of 399.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide is sourced from PubChem (CID 131938275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).