1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide

C14H25N5O — CID 164638404

IUPAC1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide
SMILESCC[C@@H](CNC(=O)c1nccn1C)N1CCN(C)CC1
InChIInChI=1S/C14H25N5O/c1-4-12(19-9-7-17(2)8-10-19)11-16-14(20)13-15-5-6-18(13)3/h5-6,12H,4,7-11H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyWEOADSIRFKHTST-LBPRGKRZSA-N
MW279.39 g/mol
LogP0.18
Rot. Bonds5

About 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide

1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide (PubChem CID 164638404) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide
PubChem CID164638404
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide
SMILESCC[C@@H](CNC(=O)c1nccn1C)N1CCN(C)CC1
InChIInChI=1S/C14H25N5O/c1-4-12(19-9-7-17(2)8-10-19)11-16-14(20)13-15-5-6-18(13)3/h5-6,12H,4,7-11H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeyWEOADSIRFKHTST-LBPRGKRZSA-N
XLogP0.18
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide (CID 164638404) is 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide is CC[C@@H](CNC(=O)c1nccn1C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide?
The InChIKey is WEOADSIRFKHTST-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-12(19-9-7-17(2)8-10-19)11-16-14(20)13-15-5-6-18(13)3/h5-6,12H,4,7-11H2,1-3H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide?
1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)butyl]imidazole-2-carboxamide is sourced from PubChem (CID 164638404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).