6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide

C18H25BrN4O — CID 11014701

IUPAC6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2cc(Br)cc3[nH]cnc23)CC1
InChIInChI=1S/C18H25BrN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyVGFOSPYYONGKOF-UHFFFAOYSA-N
MW393.33 g/mol
LogP3.57
Rot. Bonds6

About 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide

6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 11014701) has the molecular formula C18H25BrN4O and a molecular weight of 393.33 g/mol. Its IUPAC name is 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide
PubChem CID11014701
Molecular FormulaC18H25BrN4O
Molecular Weight393.33 g/mol
Exact Mass392.12
IUPAC Name6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2cc(Br)cc3[nH]cnc23)CC1
InChIInChI=1S/C18H25BrN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyVGFOSPYYONGKOF-UHFFFAOYSA-N
XLogP3.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[[1-[5-[(2-phenylacetyl)amino]pentyl]piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 101273760
2-(2-bromoethoxy)-N-[(1-butylpiperidin-4-yl)methyl]-1H-indole-3-carboxamide
CID 10789037
N-[(1-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride
CID 67829601
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 139011822
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879932
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542588
5-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62181795
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62237445
3-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzamide
CID 107872280
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide (CID 11014701) is 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide is CCCCN1CCC(CNC(=O)c2cc(Br)cc3[nH]cnc23)CC1.
What is the InChIKey of 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is VGFOSPYYONGKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide?
6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-butylpiperidin-4-yl)methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11014701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).