N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C21H27N5O — CID 124862197

IUPACN-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C21H27N5O/c1-12(2)18(23-21(27)19-14-8-7-10-15(14)24-25-19)20-22-16-9-5-6-11-17(16)26(20)13(3)4/h5-6,9,11-13,18H,7-8,10H2,1-4H3,(H,23,27)(H,24,25)/t18-/m1/s1
InChIKeyLWDNGAZLGROGOY-GOSISDBHSA-N
MW365.48 g/mol
LogP3.96
Rot. Bonds5

About N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 124862197) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID124862197
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C21H27N5O/c1-12(2)18(23-21(27)19-14-8-7-10-15(14)24-25-19)20-22-16-9-5-6-11-17(16)26(20)13(3)4/h5-6,9,11-13,18H,7-8,10H2,1-4H3,(H,23,27)(H,24,25)/t18-/m1/s1
InChIKeyLWDNGAZLGROGOY-GOSISDBHSA-N
XLogP3.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]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

N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 86207137
N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 86207007
N-[(1R)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124851250
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75489467
N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 91821558
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]acetamide
CID 91821901
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119186029
5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
CID 118985913
5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
CID 124847783
N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
CID 91640796
N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 125400617
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 124862197) is N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CC(C)[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LWDNGAZLGROGOY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N5O/c1-12(2)18(23-21(27)19-14-8-7-10-15(14)24-25-19)20-22-16-9-5-6-11-17(16)26(20)13(3)4/h5-6,9,11-13,18H,7-8,10H2,1-4H3,(H,23,27)(H,24,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 124862197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).