N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide

C18H17N5O — CID 136608966

IUPACN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide
SMILESCc1cc2nc(-c3[nH]ncc3NC(=O)C3=CCC=C3)[nH]c2cc1C
InChIInChI=1S/C18H17N5O/c1-10-7-13-14(8-11(10)2)21-17(20-13)16-15(9-19-23-16)22-18(24)12-5-3-4-6-12/h3,5-9H,4H2,1-2H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyWJBLZPPQPURWQE-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.39
Rot. Bonds3

About N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide

N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide (PubChem CID 136608966) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide
PubChem CID136608966
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide
SMILESCc1cc2nc(-c3[nH]ncc3NC(=O)C3=CCC=C3)[nH]c2cc1C
InChIInChI=1S/C18H17N5O/c1-10-7-13-14(8-11(10)2)21-17(20-13)16-15(9-19-23-16)22-18(24)12-5-3-4-6-12/h3,5-9H,4H2,1-2H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyWJBLZPPQPURWQE-UHFFFAOYSA-N
XLogP3.39
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
CID 135804549
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-piperidin-1-ylacetamide
CID 135804579
N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 136509953
4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
CID 135750711
3-[5-[5-[3-(dimethylamino)propoxy]-6-fluoro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,1-di(propan-2-yl)urea
CID 135617036
N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 136609014
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methylthiophene-2-carboxamide
CID 135501849
N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide
CID 135501876
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 135501813
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide
CID 135501852
1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;(2R)-2-hydroxypropanoic acid
CID 135475779
N-[5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide
CID 86602651

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide (CID 136608966) is N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide is Cc1cc2nc(-c3[nH]ncc3NC(=O)C3=CCC=C3)[nH]c2cc1C.
What is the InChIKey of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide?
The InChIKey is WJBLZPPQPURWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10-7-13-14(8-11(10)2)21-17(20-13)16-15(9-19-23-16)22-18(24)12-5-3-4-6-12/h3,5-9H,4H2,1-2H3,(H,19,23)(H,20,21)(H,22,24).
What are the key properties of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide?
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 136608966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).