N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C21H24N6O2 — CID 75356988

IUPACN-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccco4)[nH]n3)ccc2n1CCCN(C)C
InChIInChI=1S/C21H24N6O2/c1-14-22-16-12-15(7-8-19(16)27(14)10-5-9-26(2)3)23-21(28)18-13-17(24-25-18)20-6-4-11-29-20/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyLYXSDRLMAKWKTJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.53
Rot. Bonds7

About N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 75356988) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID75356988
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccco4)[nH]n3)ccc2n1CCCN(C)C
InChIInChI=1S/C21H24N6O2/c1-14-22-16-12-15(7-8-19(16)27(14)10-5-9-26(2)3)23-21(28)18-13-17(24-25-18)20-6-4-11-29-20/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,23,28)(H,24,25)
InChIKeyLYXSDRLMAKWKTJ-UHFFFAOYSA-N
XLogP3.53
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 75356988) is N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is Cc1nc2cc(NC(=O)c3cc(-c4ccco4)[nH]n3)ccc2n1CCCN(C)C.
What is the InChIKey of N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is LYXSDRLMAKWKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-22-16-12-15(7-8-19(16)27(14)10-5-9-26(2)3)23-21(28)18-13-17(24-25-18)20-6-4-11-29-20/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,23,28)(H,24,25).
What are the key properties of N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 75356988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).