N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C21H27N5O — CID 75489467

IUPACN-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)Cn1c(CCCNC(=O)c2n[nH]c3c2CCC3)nc2ccccc21
InChIInChI=1S/C21H27N5O/c1-14(2)13-26-18-10-4-3-8-17(18)23-19(26)11-6-12-22-21(27)20-15-7-5-9-16(15)24-25-20/h3-4,8,10,14H,5-7,9,11-13H2,1-2H3,(H,22,27)(H,24,25)
InChIKeyYCWWOMVHJMSSOW-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.27
Rot. Bonds7

About N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 75489467) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID75489467
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)Cn1c(CCCNC(=O)c2n[nH]c3c2CCC3)nc2ccccc21
InChIInChI=1S/C21H27N5O/c1-14(2)13-26-18-10-4-3-8-17(18)23-19(26)11-6-12-22-21(27)20-15-7-5-9-16(15)24-25-20/h3-4,8,10,14H,5-7,9,11-13H2,1-2H3,(H,22,27)(H,24,25)
InChIKeyYCWWOMVHJMSSOW-UHFFFAOYSA-N
XLogP3.27
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide
CID 4753648
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090
2-fluoro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989918
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
N-[(1R)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124851250
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16984255
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985028
3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990890

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 75489467) is N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CC(C)Cn1c(CCCNC(=O)c2n[nH]c3c2CCC3)nc2ccccc21.
What is the InChIKey of N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YCWWOMVHJMSSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)13-26-18-10-4-3-8-17(18)23-19(26)11-6-12-22-21(27)20-15-7-5-9-16(15)24-25-20/h3-4,8,10,14H,5-7,9,11-13H2,1-2H3,(H,22,27)(H,24,25).
What are the key properties of N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 75489467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).