N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide

C18H22N6O2 — CID 91783286

IUPACN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NC1CC(c2nnc(CO)n2C)C1
InChIInChI=1S/C18H22N6O2/c1-11-19-14-5-3-4-6-15(14)24(11)9-17(26)20-13-7-12(8-13)18-22-21-16(10-25)23(18)2/h3-6,12-13,25H,7-10H2,1-2H3,(H,20,26)
InChIKeyNPXVIOHCMGYHNK-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.03
Rot. Bonds5

About N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 91783286) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID91783286
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NC1CC(c2nnc(CO)n2C)C1
InChIInChI=1S/C18H22N6O2/c1-11-19-14-5-3-4-6-15(14)24(11)9-17(26)20-13-7-12(8-13)18-22-21-16(10-25)23(18)2/h3-6,12-13,25H,7-10H2,1-2H3,(H,20,26)
InChIKeyNPXVIOHCMGYHNK-UHFFFAOYSA-N
XLogP1.03
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 7755737
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CID 120598810
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CID 122135801
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N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
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CID 98307977
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N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
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CID 17029875
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CID 9121387
3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide
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2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 91783286) is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)NC1CC(c2nnc(CO)n2C)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is NPXVIOHCMGYHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-19-14-5-3-4-6-15(14)24(11)9-17(26)20-13-7-12(8-13)18-22-21-16(10-25)23(18)2/h3-6,12-13,25H,7-10H2,1-2H3,(H,20,26).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 91783286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).