N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C24H24N6O3 — CID 146088707

IUPACN-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCCOC1CC(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)C1n1cccn1
InChIInChI=1S/C24H24N6O3/c1-2-33-21-13-20(22(21)30-10-4-9-27-30)29-24(32)15-5-3-6-17(11-15)28-23(31)16-7-8-18-19(12-16)26-14-25-18/h3-12,14,20-22H,2,13H2,1H3,(H,25,26)(H,28,31)(H,29,32)
InChIKeyMQXWXKQFXORGTG-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.16
Rot. Bonds7

About N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 146088707) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID146088707
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCCOC1CC(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)C1n1cccn1
InChIInChI=1S/C24H24N6O3/c1-2-33-21-13-20(22(21)30-10-4-9-27-30)29-24(32)15-5-3-6-17(11-15)28-23(31)16-7-8-18-19(12-16)26-14-25-18/h3-12,14,20-22H,2,13H2,1H3,(H,25,26)(H,28,31)(H,29,32)
InChIKeyMQXWXKQFXORGTG-UHFFFAOYSA-N
XLogP3.16
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
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N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
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CID 64722974
N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 119530413
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CID 110743788
N-[3-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119510692
N-[3-(2-methylbut-3-yn-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 166206630
N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119565508
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CID 119631600

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 146088707) is N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is CCOC1CC(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)C1n1cccn1.
What is the InChIKey of N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is MQXWXKQFXORGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-2-33-21-13-20(22(21)30-10-4-9-27-30)29-24(32)15-5-3-6-17(11-15)28-23(31)16-7-8-18-19(12-16)26-14-25-18/h3-12,14,20-22H,2,13H2,1H3,(H,25,26)(H,28,31)(H,29,32).
What are the key properties of N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethoxy-2-pyrazol-1-ylcyclobutyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 146088707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).