N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide

C15H13ClN4O — CID 130384067

IUPACN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(Cl)c2)cn1)c1cc[nH]c1
InChIInChI=1S/C15H13ClN4O/c16-13-3-1-2-11(6-13)8-20-9-14(18-10-20)19-15(21)12-4-5-17-7-12/h1-7,9-10,17H,8H2,(H,19,21)
InChIKeyUUTSAQVDGADOCJ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.17
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide

N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide (PubChem CID 130384067) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
PubChem CID130384067
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(Cl)c2)cn1)c1cc[nH]c1
InChIInChI=1S/C15H13ClN4O/c16-13-3-1-2-11(6-13)8-20-9-14(18-10-20)19-15(21)12-4-5-17-7-12/h1-7,9-10,17H,8H2,(H,19,21)
InChIKeyUUTSAQVDGADOCJ-UHFFFAOYSA-N
XLogP3.17
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
CID 159939674
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
CID 130384064
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(fluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 142742815
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 129205649
N-[1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209383
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224371
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
5-[(E)-3-[[1-[(3-chlorophenyl)methyl]imidazol-4-yl]amino]-3-oxoprop-1-enyl]pyridine-2-carboxylic acid;methyl 5-[(E)-3-[[1-[(3-chlorophenyl)methyl]imidazol-4-yl]amino]-3-oxoprop-1-enyl]pyridine-2-carboxylate
CID 160726114
N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxamide
CID 134518216
N-[1-(pyridin-3-ylmethyl)imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209382
2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 135209368

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide (CID 130384067) is N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide is O=C(Nc1cn(Cc2cccc(Cl)c2)cn1)c1cc[nH]c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is UUTSAQVDGADOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-13-3-1-2-11(6-13)8-20-9-14(18-10-20)19-15(21)12-4-5-17-7-12/h1-7,9-10,17H,8H2,(H,19,21).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide?
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 130384067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).