N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

C21H27N5O — CID 86207007

IUPACN-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCC(C)C(NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2n1C
InChIInChI=1S/C21H27N5O/c1-13(2)18(20-22-16-11-7-8-12-17(16)26(20)3)23-21(27)19-14-9-5-4-6-10-15(14)24-25-19/h7-8,11-13,18H,4-6,9-10H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyZHLPXKKWVNAQDI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.69
Rot. Bonds4

About N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 86207007) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID86207007
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCC(C)C(NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2n1C
InChIInChI=1S/C21H27N5O/c1-13(2)18(20-22-16-11-7-8-12-17(16)26(20)3)23-21(27)19-14-9-5-4-6-10-15(14)24-25-19/h7-8,11-13,18H,4-6,9-10H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyZHLPXKKWVNAQDI-UHFFFAOYSA-N
XLogP3.69
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 86207137
N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124862197
N-[(1R)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124851250
2-methoxy-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 121240654
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 86207401
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 102564420
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
N-[1-(4-bromophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112842470

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (CID 86207007) is N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is CC(C)C(NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2n1C.
What is the InChIKey of N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is ZHLPXKKWVNAQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-13(2)18(20-22-16-11-7-8-12-17(16)26(20)3)23-21(27)19-14-9-5-4-6-10-15(14)24-25-19/h7-8,11-13,18H,4-6,9-10H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 86207007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).