3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen

C23H22N6O — CID 143520551

IUPAC3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen
SMILESO=C1NC2C=CC=CC2N1c1ncccc1CN(c1cccnc1)c1cccnc1.[H][H]
InChIInChI=1S/C23H20N6O.H2/c30-23-27-20-9-1-2-10-21(20)29(23)22-17(6-3-13-26-22)16-28(18-7-4-11-24-14-18)19-8-5-12-25-15-19;/h1-15,20-21H,16H2,(H,27,30);1H
InChIKeyXAYDYRCDSCLDHT-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.85
Rot. Bonds5

About 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen

3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen (PubChem CID 143520551) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen
PubChem CID143520551
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen
SMILESO=C1NC2C=CC=CC2N1c1ncccc1CN(c1cccnc1)c1cccnc1.[H][H]
InChIInChI=1S/C23H20N6O.H2/c30-23-27-20-9-1-2-10-21(20)29(23)22-17(6-3-13-26-22)16-28(18-7-4-11-24-14-18)19-8-5-12-25-15-19;/h1-15,20-21H,16H2,(H,27,30);1H
InChIKeyXAYDYRCDSCLDHT-UHFFFAOYSA-N
XLogP3.85
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen?
The IUPAC name of 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen (CID 143520551) is 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen.
What is the SMILES notation for 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen?
The canonical SMILES for 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen is O=C1NC2C=CC=CC2N1c1ncccc1CN(c1cccnc1)c1cccnc1.[H][H].
What is the InChIKey of 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen?
The InChIKey is XAYDYRCDSCLDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.H2/c30-23-27-20-9-1-2-10-21(20)29(23)22-17(6-3-13-26-22)16-28(18-7-4-11-24-14-18)19-8-5-12-25-15-19;/h1-15,20-21H,16H2,(H,27,30);1H.
What are the key properties of 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen?
3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen has a molecular weight of 398.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen is sourced from PubChem (CID 143520551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).