N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

C22H23N5O2 — CID 4776387

IUPACN-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCC(C)c1ccc(OCn2ccc(C(=O)Nc3nc4ccccc4n3C)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-15(2)16-8-10-17(11-9-16)29-14-27-13-12-19(25-27)21(28)24-22-23-18-6-4-5-7-20(18)26(22)3/h4-13,15H,14H2,1-3H3,(H,23,24,28)
InChIKeyFITMKNCASLVPIE-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.18
Rot. Bonds6

About N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4776387) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4776387
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCC(C)c1ccc(OCn2ccc(C(=O)Nc3nc4ccccc4n3C)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-15(2)16-8-10-17(11-9-16)29-14-27-13-12-19(25-27)21(28)24-22-23-18-6-4-5-7-20(18)26(22)3/h4-13,15H,14H2,1-3H3,(H,23,24,28)
InChIKeyFITMKNCASLVPIE-UHFFFAOYSA-N
XLogP4.18
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloro-4-fluorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19272608
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19274404
N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275845
N-(2-cyanophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275980
dimethyl 5-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19275813
1-[(4-propan-2-ylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19275815
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275922
N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275986
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276004
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275825
N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide (CID 4776387) is N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide is CC(C)c1ccc(OCn2ccc(C(=O)Nc3nc4ccccc4n3C)n2)cc1.
What is the InChIKey of N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is FITMKNCASLVPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15(2)16-8-10-17(11-9-16)29-14-27-13-12-19(25-27)21(28)24-22-23-18-6-4-5-7-20(18)26(22)3/h4-13,15H,14H2,1-3H3,(H,23,24,28).
What are the key properties of N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?
N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4776387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).