2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide

C18H25N5O2 — CID 175826544

IUPAC2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide
SMILESCC(C)CCc1nc2c(N3CCN(C)C(=O)C3)cccc2n1C(N)=O
InChIInChI=1S/C18H25N5O2/c1-12(2)7-8-15-20-17-13(22-10-9-21(3)16(24)11-22)5-4-6-14(17)23(15)18(19)25/h4-6,12H,7-11H2,1-3H3,(H2,19,25)
InChIKeyZQFSIZKWAHTKNB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.83
Rot. Bonds4

About 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide

2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide (PubChem CID 175826544) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide
PubChem CID175826544
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide
SMILESCC(C)CCc1nc2c(N3CCN(C)C(=O)C3)cccc2n1C(N)=O
InChIInChI=1S/C18H25N5O2/c1-12(2)7-8-15-20-17-13(22-10-9-21(3)16(24)11-22)5-4-6-14(17)23(15)18(19)25/h4-6,12H,7-11H2,1-3H3,(H2,19,25)
InChIKeyZQFSIZKWAHTKNB-UHFFFAOYSA-N
XLogP1.83
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826613
4-[4-(1-methylazetidin-3-yl)piperazin-1-yl]-2-(3-methylbutyl)benzimidazole-1-carboxamide
CID 175826611
2-(3-methylbutyl)-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]benzimidazole-1-carboxamide
CID 175826587
2-(3-cyclopropylprop-2-ynyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826462
2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826593
2-[3-(4-methoxyphenyl)prop-2-ynyl]-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826586
4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one
CID 117371658
2-chloro-6-(4-methyl-3-oxopiperazin-1-yl)benzenecarbothioamide
CID 64695491
methyl 2-hydroxy-2-[2-(4-methyl-3-oxopiperazin-1-yl)phenyl]acetate
CID 117446001
1,4-dimethyl-2-(3-methylbutyl)benzimidazole
CID 22734749
4-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694972
4-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]-1-methylpiperazin-2-one
CID 64695541

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide?
The IUPAC name of 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide (CID 175826544) is 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide.
What is the SMILES notation for 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide?
The canonical SMILES for 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide is CC(C)CCc1nc2c(N3CCN(C)C(=O)C3)cccc2n1C(N)=O.
What is the InChIKey of 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide?
The InChIKey is ZQFSIZKWAHTKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)7-8-15-20-17-13(22-10-9-21(3)16(24)11-22)5-4-6-14(17)23(15)18(19)25/h4-6,12H,7-11H2,1-3H3,(H2,19,25).
What are the key properties of 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide?
2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide is sourced from PubChem (CID 175826544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).