N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide

C8H15N3O2 — CID 91902240

IUPACN-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1CN=C(C(=O)NCCCO)N1
InChIInChI=1S/C8H15N3O2/c1-6-5-10-7(11-6)8(13)9-3-2-4-12/h6,12H,2-5H2,1H3,(H,9,13)(H,10,11)
InChIKeyWPMUGZOJQGYADZ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.12
Rot. Bonds4

About N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide

N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 91902240) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID91902240
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1CN=C(C(=O)NCCCO)N1
InChIInChI=1S/C8H15N3O2/c1-6-5-10-7(11-6)8(13)9-3-2-4-12/h6,12H,2-5H2,1H3,(H,9,13)(H,10,11)
InChIKeyWPMUGZOJQGYADZ-UHFFFAOYSA-N
XLogP-1.12
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide (CID 91902240) is N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide is CC1CN=C(C(=O)NCCCO)N1.
What is the InChIKey of N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is WPMUGZOJQGYADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6-5-10-7(11-6)8(13)9-3-2-4-12/h6,12H,2-5H2,1H3,(H,9,13)(H,10,11).
What are the key properties of N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide?
N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91902240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).