N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide

C24H23N7O — CID 58102974

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(-n2cnc3c2CCCC3)c1
InChIInChI=1S/C24H23N7O/c32-24(16-5-3-6-18(13-16)30-14-25-19-7-1-2-9-21(19)30)28-22-10-4-8-20(27-22)23-29-26-15-31(23)17-11-12-17/h3-6,8,10,13-15,17H,1-2,7,9,11-12H2,(H,27,28,32)
InChIKeyFCPPUDFGPFUSRX-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.99
Rot. Bonds5

About N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide (PubChem CID 58102974) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide
PubChem CID58102974
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(-n2cnc3c2CCCC3)c1
InChIInChI=1S/C24H23N7O/c32-24(16-5-3-6-18(13-16)30-14-25-19-7-1-2-9-21(19)30)28-22-10-4-8-20(27-22)23-29-26-15-31(23)17-11-12-17/h3-6,8,10,13-15,17H,1-2,7,9,11-12H2,(H,27,28,32)
InChIKeyFCPPUDFGPFUSRX-UHFFFAOYSA-N
XLogP3.99
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide (CID 58102974) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide is O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(-n2cnc3c2CCCC3)c1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide?
The InChIKey is FCPPUDFGPFUSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c32-24(16-5-3-6-18(13-16)30-14-25-19-7-1-2-9-21(19)30)28-22-10-4-8-20(27-22)23-29-26-15-31(23)17-11-12-17/h3-6,8,10,13-15,17H,1-2,7,9,11-12H2,(H,27,28,32).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide has a molecular weight of 425.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)benzamide is sourced from PubChem (CID 58102974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).