N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide

C20H19N5O2 — CID 97211410

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O2/c1-25-18(10-11-21-25)20(27)24-17(12-13-6-8-14(26)9-7-13)19-22-15-4-2-3-5-16(15)23-19/h2-11,17,26H,12H2,1H3,(H,22,23)(H,24,27)/t17-/m1/s1
InChIKeyJPQVOEQSTVBJCA-QGZVFWFLSA-N
MW361.41 g/mol
LogP2.72
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 97211410) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID97211410
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O2/c1-25-18(10-11-21-25)20(27)24-17(12-13-6-8-14(26)9-7-13)19-22-15-4-2-3-5-16(15)23-19/h2-11,17,26H,12H2,1H3,(H,22,23)(H,24,27)/t17-/m1/s1
InChIKeyJPQVOEQSTVBJCA-QGZVFWFLSA-N
XLogP2.72
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide
CID 167812531
5-[[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]carbamoyl]-1H-pyrrole-3-sulfonyl fluoride
CID 166407207
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3653845
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51963622
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220
1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 55769917
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 4969011
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 124618083
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(methylsulfonylmethyl)benzamide
CID 46561468

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide (CID 97211410) is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JPQVOEQSTVBJCA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-18(10-11-21-25)20(27)24-17(12-13-6-8-14(26)9-7-13)19-22-15-4-2-3-5-16(15)23-19/h2-11,17,26H,12H2,1H3,(H,22,23)(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 97211410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).