N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide

C23H25N5O — CID 17218650

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1
InChIInChI=1S/C23H25N5O/c1-15-6-5-7-18(12-15)23(29)24-19-8-9-21-20(14-19)25-22(27(21)4)10-11-28-17(3)13-16(2)26-28/h5-9,12-14H,10-11H2,1-4H3,(H,24,29)
InChIKeyBDOJHNHADGKJJV-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.19
Rot. Bonds5

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide (PubChem CID 17218650) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
PubChem CID17218650
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1
InChIInChI=1S/C23H25N5O/c1-15-6-5-7-18(12-15)23(29)24-19-8-9-21-20(14-19)25-22(27(21)4)10-11-28-17(3)13-16(2)26-28/h5-9,12-14H,10-11H2,1-4H3,(H,24,29)
InChIKeyBDOJHNHADGKJJV-UHFFFAOYSA-N
XLogP4.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide
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N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
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N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
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N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
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N-[1-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethyl]benzimidazol-5-yl]benzamide
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CID 50751836
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
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N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide (CID 17218650) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The InChIKey is BDOJHNHADGKJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15-6-5-7-18(12-15)23(29)24-19-8-9-21-20(14-19)25-22(27(21)4)10-11-28-17(3)13-16(2)26-28/h5-9,12-14H,10-11H2,1-4H3,(H,24,29).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide has a molecular weight of 387.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide is sourced from PubChem (CID 17218650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).