1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide

C19H28N4O2 — CID 171355899

IUPAC1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide
SMILESCC(C)CCn1c(=O)[nH]c2ccc(NC(=O)C3CCN(C)CC3)cc21
InChIInChI=1S/C19H28N4O2/c1-13(2)6-11-23-17-12-15(4-5-16(17)21-19(23)25)20-18(24)14-7-9-22(3)10-8-14/h4-5,12-14H,6-11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyDJXBAHFGDKAEAP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.66
Rot. Bonds5

About 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide

1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide (PubChem CID 171355899) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide
PubChem CID171355899
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide
SMILESCC(C)CCn1c(=O)[nH]c2ccc(NC(=O)C3CCN(C)CC3)cc21
InChIInChI=1S/C19H28N4O2/c1-13(2)6-11-23-17-12-15(4-5-16(17)21-19(23)25)20-18(24)14-7-9-22(3)10-8-14/h4-5,12-14H,6-11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyDJXBAHFGDKAEAP-UHFFFAOYSA-N
XLogP2.66
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide (CID 171355899) is 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide is CC(C)CCn1c(=O)[nH]c2ccc(NC(=O)C3CCN(C)CC3)cc21.
What is the InChIKey of 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide?
The InChIKey is DJXBAHFGDKAEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)6-11-23-17-12-15(4-5-16(17)21-19(23)25)20-18(24)14-7-9-22(3)10-8-14/h4-5,12-14H,6-11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide?
1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(3-methylbutyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 171355899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).