4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C11H13ClN4O — CID 63565403

IUPAC4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13ClN4O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,1-2H3,(H2,13,14,15,17)
InChIKeyXCXLRMWSQSMQQJ-UHFFFAOYSA-N
MW252.71 g/mol
LogP2.70
Rot. Bonds3

About 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 63565403) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID63565403
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13ClN4O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,1-2H3,(H2,13,14,15,17)
InChIKeyXCXLRMWSQSMQQJ-UHFFFAOYSA-N
XLogP2.70
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63562551
4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63564434
4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 60968792
N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide
CID 71706054
4-chloro-1-propan-2-yl-N-prop-2-ynylpyrrole-2-carboxamide
CID 61345032
N-(4-bromo-3,5-dimethylphenyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 107574915
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652
N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 66188396
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64787134
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 83171095
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63565030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 63565403) is 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is XCXLRMWSQSMQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 252.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63565403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).