N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide

C24H18FN5O — CID 44530851

IUPACN-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1
InChIInChI=1S/C24H18FN5O/c1-30-14-26-13-22(30)24(31)27-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-28-20-9-8-18(25)12-21(20)29-23/h2-14H,1H3,(H,27,31)(H,28,29)
InChIKeyDBUUZZZNHVWYNW-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.02
Rot. Bonds4

About N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide

N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide (PubChem CID 44530851) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide
PubChem CID44530851
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC NameN-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1
InChIInChI=1S/C24H18FN5O/c1-30-14-26-13-22(30)24(31)27-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-28-20-9-8-18(25)12-21(20)29-23/h2-14H,1H3,(H,27,31)(H,28,29)
InChIKeyDBUUZZZNHVWYNW-UHFFFAOYSA-N
XLogP5.02
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide (CID 44530851) is N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1.
What is the InChIKey of N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is DBUUZZZNHVWYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-30-14-26-13-22(30)24(31)27-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-28-20-9-8-18(25)12-21(20)29-23/h2-14H,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide?
N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 44530851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).