N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide

C12H16N4O — CID 110445327

IUPACN-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1ccc[nH]1
InChIInChI=1S/C12H16N4O/c17-12(11-4-3-6-14-11)15-5-1-2-8-16-9-7-13-10-16/h3-4,6-7,9-10,14H,1-2,5,8H2,(H,15,17)
InChIKeyUGBOBOARTJUNGP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.42
Rot. Bonds6

About N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide

N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide (PubChem CID 110445327) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
PubChem CID110445327
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1ccc[nH]1
InChIInChI=1S/C12H16N4O/c17-12(11-4-3-6-14-11)15-5-1-2-8-16-9-7-13-10-16/h3-4,6-7,9-10,14H,1-2,5,8H2,(H,15,17)
InChIKeyUGBOBOARTJUNGP-UHFFFAOYSA-N
XLogP1.42
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
CID 22139224
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide (CID 110445327) is N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide is O=C(NCCCCn1ccnc1)c1ccc[nH]1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide?
The InChIKey is UGBOBOARTJUNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(11-4-3-6-14-11)15-5-1-2-8-16-9-7-13-10-16/h3-4,6-7,9-10,14H,1-2,5,8H2,(H,15,17).
What are the key properties of N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide?
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110445327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).