N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

C16H19N5O2 — CID 70738211

IUPACN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc2nc(CNC(=O)c3cnn(C(C)C)c3)[nH]c2c1
InChIInChI=1S/C16H19N5O2/c1-10(2)21-9-11(7-18-21)16(22)17-8-15-19-13-5-4-12(23-3)6-14(13)20-15/h4-7,9-10H,8H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyXEDOOJOTHCCQMQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.28
Rot. Bonds5

About N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70738211) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70738211
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc2nc(CNC(=O)c3cnn(C(C)C)c3)[nH]c2c1
InChIInChI=1S/C16H19N5O2/c1-10(2)21-9-11(7-18-21)16(22)17-8-15-19-13-5-4-12(23-3)6-14(13)20-15/h4-7,9-10H,8H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyXEDOOJOTHCCQMQ-UHFFFAOYSA-N
XLogP2.28
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70740746
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131915305
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
CID 72864091
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95728846
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 118782033
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023
N-(1H-benzimidazol-2-ylmethyl)-6-(4-methoxyphenyl)-1-methyl-2-oxopyrimidine-4-carboxamide
CID 146024032
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-methoxy-1-propan-2-ylpyrazole-4-carboxamide
CID 130683619
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19622155
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 129401216

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70738211) is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is COc1ccc2nc(CNC(=O)c3cnn(C(C)C)c3)[nH]c2c1.
What is the InChIKey of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is XEDOOJOTHCCQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)21-9-11(7-18-21)16(22)17-8-15-19-13-5-4-12(23-3)6-14(13)20-15/h4-7,9-10H,8H2,1-3H3,(H,17,22)(H,19,20).
What are the key properties of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70738211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).