1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide

C26H25N7O2 — CID 25105469

IUPAC1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide
SMILESO=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(C2=NCCN2)nc1
InChIInChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34)
InChIKeyDNIPCQILANYFNK-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.59
Rot. Bonds8

About 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide

1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide (PubChem CID 25105469) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide
PubChem CID25105469
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide
SMILESO=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(C2=NCCN2)nc1
InChIInChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34)
InChIKeyDNIPCQILANYFNK-UHFFFAOYSA-N
XLogP2.59
TPSA113.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide (CID 25105469) is 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide is O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(C2=NCCN2)nc1.
What is the InChIKey of 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide?
The InChIKey is DNIPCQILANYFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34).
What are the key properties of 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide?
1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 25105469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).