N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide

C19H14BrN3OS — CID 4731778

IUPACN-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCn1c(-c2ccc(C(=O)Nc3ccccc3Br)s2)nc2ccccc21
InChIInChI=1S/C19H14BrN3OS/c1-23-15-9-5-4-8-14(15)21-18(23)16-10-11-17(25-16)19(24)22-13-7-3-2-6-12(13)20/h2-11H,1H3,(H,22,24)
InChIKeyZDTRTTSYRDIVLB-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.32
Rot. Bonds3

About N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide

N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 4731778) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID4731778
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC NameN-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCn1c(-c2ccc(C(=O)Nc3ccccc3Br)s2)nc2ccccc21
InChIInChI=1S/C19H14BrN3OS/c1-23-15-9-5-4-8-14(15)21-18(23)16-10-11-17(25-16)19(24)22-13-7-3-2-6-12(13)20/h2-11H,1H3,(H,22,24)
InChIKeyZDTRTTSYRDIVLB-UHFFFAOYSA-N
XLogP5.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 4731737
1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
CID 13177411
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
CID 4731758
N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732004
5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731815
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324332
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 4731716
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 4731778) is N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide is Cn1c(-c2ccc(C(=O)Nc3ccccc3Br)s2)nc2ccccc21.
What is the InChIKey of N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ZDTRTTSYRDIVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c1-23-15-9-5-4-8-14(15)21-18(23)16-10-11-17(25-16)19(24)22-13-7-3-2-6-12(13)20/h2-11H,1H3,(H,22,24).
What are the key properties of N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide?
N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4731778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).