N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide

C20H20FN3O2 — CID 91761518

IUPACN-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)NC(c3ccc(F)cc3)C3CC(O)C3)cccc2[nH]1
InChIInChI=1S/C20H20FN3O2/c1-11-22-17-4-2-3-16(19(17)23-11)20(26)24-18(13-9-15(25)10-13)12-5-7-14(21)8-6-12/h2-8,13,15,18,25H,9-10H2,1H3,(H,22,23)(H,24,26)
InChIKeyLQBXDKRFEATWFG-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide

N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 91761518) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide
PubChem CID91761518
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)NC(c3ccc(F)cc3)C3CC(O)C3)cccc2[nH]1
InChIInChI=1S/C20H20FN3O2/c1-11-22-17-4-2-3-16(19(17)23-11)20(26)24-18(13-9-15(25)10-13)12-5-7-14(21)8-6-12/h2-8,13,15,18,25H,9-10H2,1H3,(H,22,23)(H,24,26)
InChIKeyLQBXDKRFEATWFG-UHFFFAOYSA-N
XLogP3.25
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide (CID 91761518) is N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide is Cc1nc2c(C(=O)NC(c3ccc(F)cc3)C3CC(O)C3)cccc2[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is LQBXDKRFEATWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-11-22-17-4-2-3-16(19(17)23-11)20(26)24-18(13-9-15(25)10-13)12-5-7-14(21)8-6-12/h2-8,13,15,18,25H,9-10H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide?
N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 91761518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).