2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide

C16H30N4O — CID 166654870

IUPAC2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide
SMILESCCC(CCC1CCCC1)N(C)CC1NC=C(C(N)=O)N1
InChIInChI=1S/C16H30N4O/c1-3-13(9-8-12-6-4-5-7-12)20(2)11-15-18-10-14(19-15)16(17)21/h10,12-13,15,18-19H,3-9,11H2,1-2H3,(H2,17,21)
InChIKeyRANCZPJMIYMNJQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.51
Rot. Bonds8

About 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide

2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide (PubChem CID 166654870) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide
PubChem CID166654870
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide
SMILESCCC(CCC1CCCC1)N(C)CC1NC=C(C(N)=O)N1
InChIInChI=1S/C16H30N4O/c1-3-13(9-8-12-6-4-5-7-12)20(2)11-15-18-10-14(19-15)16(17)21/h10,12-13,15,18-19H,3-9,11H2,1-2H3,(H2,17,21)
InChIKeyRANCZPJMIYMNJQ-UHFFFAOYSA-N
XLogP1.51
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide?
The IUPAC name of 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide (CID 166654870) is 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide is CCC(CCC1CCCC1)N(C)CC1NC=C(C(N)=O)N1.
What is the InChIKey of 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide?
The InChIKey is RANCZPJMIYMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-3-13(9-8-12-6-4-5-7-12)20(2)11-15-18-10-14(19-15)16(17)21/h10,12-13,15,18-19H,3-9,11H2,1-2H3,(H2,17,21).
What are the key properties of 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide?
2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopentylpentan-3-yl(methyl)amino]methyl]-2,3-dihydro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 166654870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).