2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide

C15H13ClN4O — CID 90872994

IUPAC2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1cnc(Cc2ccc(-c3ccc[nH]3)c(Cl)c2)[nH]1
InChIInChI=1S/C15H13ClN4O/c16-11-6-9(3-4-10(11)12-2-1-5-18-12)7-14-19-8-13(20-14)15(17)21/h1-6,8,18H,7H2,(H2,17,21)(H,19,20)
InChIKeyUWNRJFILMIWRNG-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.75
Rot. Bonds4

About 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide

2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 90872994) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide
PubChem CID90872994
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1cnc(Cc2ccc(-c3ccc[nH]3)c(Cl)c2)[nH]1
InChIInChI=1S/C15H13ClN4O/c16-11-6-9(3-4-10(11)12-2-1-5-18-12)7-14-19-8-13(20-14)15(17)21/h1-6,8,18H,7H2,(H2,17,21)(H,19,20)
InChIKeyUWNRJFILMIWRNG-UHFFFAOYSA-N
XLogP2.75
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide (CID 90872994) is 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide is NC(=O)c1cnc(Cc2ccc(-c3ccc[nH]3)c(Cl)c2)[nH]1.
What is the InChIKey of 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is UWNRJFILMIWRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-11-6-9(3-4-10(11)12-2-1-5-18-12)7-14-19-8-13(20-14)15(17)21/h1-6,8,18H,7H2,(H2,17,21)(H,19,20).
What are the key properties of 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide?
2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 90872994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).