N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine

C25H23N5 — CID 71906904

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
SMILESCn1cnc2cc(CNCc3cn(-c4ccccc4)nc3-c3ccccc3)ccc21
InChIInChI=1S/C25H23N5/c1-29-18-27-23-14-19(12-13-24(23)29)15-26-16-21-17-30(22-10-6-3-7-11-22)28-25(21)20-8-4-2-5-9-20/h2-14,17-18,26H,15-16H2,1H3
InChIKeyBAWLVBSGTDZELL-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.72
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine (PubChem CID 71906904) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
PubChem CID71906904
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
SMILESCn1cnc2cc(CNCc3cn(-c4ccccc4)nc3-c3ccccc3)ccc21
InChIInChI=1S/C25H23N5/c1-29-18-27-23-14-19(12-13-24(23)29)15-26-16-21-17-30(22-10-6-3-7-11-22)28-25(21)20-8-4-2-5-9-20/h2-14,17-18,26H,15-16H2,1H3
InChIKeyBAWLVBSGTDZELL-UHFFFAOYSA-N
XLogP4.72
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine (CID 71906904) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine is Cn1cnc2cc(CNCc3cn(-c4ccccc4)nc3-c3ccccc3)ccc21.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine?
The InChIKey is BAWLVBSGTDZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-29-18-27-23-14-19(12-13-24(23)29)15-26-16-21-17-30(22-10-6-3-7-11-22)28-25(21)20-8-4-2-5-9-20/h2-14,17-18,26H,15-16H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine has a molecular weight of 393.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 71906904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).