N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide

C14H15N3O2 — CID 110466575

IUPACN-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide
SMILESCOc1ccccc1C1(NC(=O)c2ncc[nH]2)CC1
InChIInChI=1S/C14H15N3O2/c1-19-11-5-3-2-4-10(11)14(6-7-14)17-13(18)12-15-8-9-16-12/h2-5,8-9H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyUWKXXVJGPVRTPO-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.84
Rot. Bonds4

About N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide

N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide (PubChem CID 110466575) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide
PubChem CID110466575
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide
SMILESCOc1ccccc1C1(NC(=O)c2ncc[nH]2)CC1
InChIInChI=1S/C14H15N3O2/c1-19-11-5-3-2-4-10(11)14(6-7-14)17-13(18)12-15-8-9-16-12/h2-5,8-9H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyUWKXXVJGPVRTPO-UHFFFAOYSA-N
XLogP1.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide (CID 110466575) is N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide is COc1ccccc1C1(NC(=O)c2ncc[nH]2)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide?
The InChIKey is UWKXXVJGPVRTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-11-5-3-2-4-10(11)14(6-7-14)17-13(18)12-15-8-9-16-12/h2-5,8-9H,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide?
N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 110466575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).