N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide

C17H22N4O — CID 123757708

IUPACN-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide
SMILESCNc1cccc(-c2cn(C(=O)N(C)C3CCCC3)cn2)c1
InChIInChI=1S/C17H22N4O/c1-18-14-7-5-6-13(10-14)16-11-21(12-19-16)17(22)20(2)15-8-3-4-9-15/h5-7,10-12,15,18H,3-4,8-9H2,1-2H3
InChIKeyRQMCQWVMTFNFDZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.43
Rot. Bonds3

About N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide

N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide (PubChem CID 123757708) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide
PubChem CID123757708
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide
SMILESCNc1cccc(-c2cn(C(=O)N(C)C3CCCC3)cn2)c1
InChIInChI=1S/C17H22N4O/c1-18-14-7-5-6-13(10-14)16-11-21(12-19-16)17(22)20(2)15-8-3-4-9-15/h5-7,10-12,15,18H,3-4,8-9H2,1-2H3
InChIKeyRQMCQWVMTFNFDZ-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide (CID 123757708) is N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide is CNc1cccc(-c2cn(C(=O)N(C)C3CCCC3)cn2)c1.
What is the InChIKey of N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide?
The InChIKey is RQMCQWVMTFNFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-18-14-7-5-6-13(10-14)16-11-21(12-19-16)17(22)20(2)15-8-3-4-9-15/h5-7,10-12,15,18H,3-4,8-9H2,1-2H3.
What are the key properties of N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide?
N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 123757708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).