7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide

C19H16BrN5O3 — CID 166393949

IUPAC7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c(Br)cc(C(=O)Nc3ccc(OCc4noc(C)n4)cc3)cc2[nH]1
InChIInChI=1S/C19H16BrN5O3/c1-10-21-16-8-12(7-15(20)18(16)22-10)19(26)24-13-3-5-14(6-4-13)27-9-17-23-11(2)28-25-17/h3-8H,9H2,1-2H3,(H,21,22)(H,24,26)
InChIKeyNZQWQDIVZRWGLM-UHFFFAOYSA-N
MW442.27 g/mol
LogP4.16
Rot. Bonds5

About 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide

7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 166393949) has the molecular formula C19H16BrN5O3 and a molecular weight of 442.27 g/mol. Its IUPAC name is 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID166393949
Molecular FormulaC19H16BrN5O3
Molecular Weight442.27 g/mol
Exact Mass441.04
IUPAC Name7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c(Br)cc(C(=O)Nc3ccc(OCc4noc(C)n4)cc3)cc2[nH]1
InChIInChI=1S/C19H16BrN5O3/c1-10-21-16-8-12(7-15(20)18(16)22-10)19(26)24-13-3-5-14(6-4-13)27-9-17-23-11(2)28-25-17/h3-8H,9H2,1-2H3,(H,21,22)(H,24,26)
InChIKeyNZQWQDIVZRWGLM-UHFFFAOYSA-N
XLogP4.16
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918
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CID 55908467
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 32766350
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 29367445
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378
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CID 55654311
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-(2,5-dimethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 51309899
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46401890
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butanamide
CID 120500670
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
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N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 166393949) is 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is Cc1nc2c(Br)cc(C(=O)Nc3ccc(OCc4noc(C)n4)cc3)cc2[nH]1.
What is the InChIKey of 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is NZQWQDIVZRWGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O3/c1-10-21-16-8-12(7-15(20)18(16)22-10)19(26)24-13-3-5-14(6-4-13)27-9-17-23-11(2)28-25-17/h3-8H,9H2,1-2H3,(H,21,22)(H,24,26).
What are the key properties of 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 442.27 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166393949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).