2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide

C19H19FN4O — CID 16727191

IUPAC2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2[nH]c(-c3ccc(CNC4CCC4)cc3)nc12
InChIInChI=1S/C19H19FN4O/c20-13-8-15(18(21)25)17-16(9-13)23-19(24-17)12-6-4-11(5-7-12)10-22-14-2-1-3-14/h4-9,14,22H,1-3,10H2,(H2,21,25)(H,23,24)
InChIKeyZLFWVDLLDMJWMJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide

2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 16727191) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID16727191
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2[nH]c(-c3ccc(CNC4CCC4)cc3)nc12
InChIInChI=1S/C19H19FN4O/c20-13-8-15(18(21)25)17-16(9-13)23-19(24-17)12-6-4-11(5-7-12)10-22-14-2-1-3-14/h4-9,14,22H,1-3,10H2,(H2,21,25)(H,23,24)
InChIKeyZLFWVDLLDMJWMJ-UHFFFAOYSA-N
XLogP3.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide (CID 16727191) is 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(F)cc2[nH]c(-c3ccc(CNC4CCC4)cc3)nc12.
What is the InChIKey of 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is ZLFWVDLLDMJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-13-8-15(18(21)25)17-16(9-13)23-19(24-17)12-6-4-11(5-7-12)10-22-14-2-1-3-14/h4-9,14,22H,1-3,10H2,(H2,21,25)(H,23,24).
What are the key properties of 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide?
2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 16727191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).