N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C21H21N5O2 — CID 91820908

IUPACN-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOCCn1c(CNC(=O)c2cc(-c3ccccc3)n[nH]2)nc2ccccc21
InChIInChI=1S/C21H21N5O2/c1-28-12-11-26-19-10-6-5-9-16(19)23-20(26)14-22-21(27)18-13-17(24-25-18)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,22,27)(H,24,25)
InChIKeyRCRFFWRSPRBDNR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.00
Rot. Bonds7

About N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 91820908) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID91820908
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOCCn1c(CNC(=O)c2cc(-c3ccccc3)n[nH]2)nc2ccccc21
InChIInChI=1S/C21H21N5O2/c1-28-12-11-26-19-10-6-5-9-16(19)23-20(26)14-22-21(27)18-13-17(24-25-18)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,22,27)(H,24,25)
InChIKeyRCRFFWRSPRBDNR-UHFFFAOYSA-N
XLogP3.00
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide
CID 87324506
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91639146
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965654
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966556

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 91820908) is N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is COCCn1c(CNC(=O)c2cc(-c3ccccc3)n[nH]2)nc2ccccc21.
What is the InChIKey of N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is RCRFFWRSPRBDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-28-12-11-26-19-10-6-5-9-16(19)23-20(26)14-22-21(27)18-13-17(24-25-18)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,22,27)(H,24,25).
What are the key properties of N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91820908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).