N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide

C16H19N3O2 — CID 66683135

IUPACN-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2cccc(O)c2)c1)C1CCCC1
InChIInChI=1S/C16H19N3O2/c1-18(13-6-2-3-7-13)16(21)19-10-15(17-11-19)12-5-4-8-14(20)9-12/h4-5,8-11,13,20H,2-3,6-7H2,1H3
InChIKeySSUFBGUHBRBGKQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.10
Rot. Bonds2

About N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide

N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide (PubChem CID 66683135) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide
PubChem CID66683135
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2cccc(O)c2)c1)C1CCCC1
InChIInChI=1S/C16H19N3O2/c1-18(13-6-2-3-7-13)16(21)19-10-15(17-11-19)12-5-4-8-14(20)9-12/h4-5,8-11,13,20H,2-3,6-7H2,1H3
InChIKeySSUFBGUHBRBGKQ-UHFFFAOYSA-N
XLogP3.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide (CID 66683135) is N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide is CN(C(=O)n1cnc(-c2cccc(O)c2)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
The InChIKey is SSUFBGUHBRBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(13-6-2-3-7-13)16(21)19-10-15(17-11-19)12-5-4-8-14(20)9-12/h4-5,8-11,13,20H,2-3,6-7H2,1H3.
What are the key properties of N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide?
N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 66683135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).