N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide

C21H17N3O2 — CID 3546208

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C21H17N3O2/c1-26-17-6-4-5-15(13-17)21(25)22-16-11-9-14(10-12-16)20-23-18-7-2-3-8-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyMPEZJSYGXVVBLY-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.49
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide (PubChem CID 3546208) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
PubChem CID3546208
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C21H17N3O2/c1-26-17-6-4-5-15(13-17)21(25)22-16-11-9-14(10-12-16)20-23-18-7-2-3-8-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyMPEZJSYGXVVBLY-UHFFFAOYSA-N
XLogP4.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide (CID 3546208) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide?
The InChIKey is MPEZJSYGXVVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-17-6-4-5-15(13-17)21(25)22-16-11-9-14(10-12-16)20-23-18-7-2-3-8-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide has a molecular weight of 343.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 3546208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).